CAS 2138-98-9|CAS 33621-61-3|CAS 28004-62-8|5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine|1-(5-Amino-1,3,4-oxadiazol-2-yl)-4-chlorobenzene|5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine|2-Amino-5-(4-chloro...

General Information

Structure

Molecular Formula

C₈H₆ClN₃O

Molecular Mass

195.60574

Exact Mass

195.01993951

Charge

InChI

InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)

InChIKey

ZMWWZXSPDQIWAZ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1)c1nnc(o1)N

Isomeric Smiles

o1c(nnc1N)c1ccc(cc1)Cl

Calculated Properties

JChem

Acid pKa

12.925962

H Acceptors

H Donor

LogD (pH = 5.5)

1.4388243

LogD (pH = 7.4)

1.4388233

Log P

1.4388245

Molar Refractivity

61.0637

Polarizability

18.759792

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

Synonyms

1-(5-Amino-1,3,4-oxadiazol-2-yl)-4-chlorobenzene2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole 97%5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole2-氨基-5-(4-氯苯基)-1,3,4-噁二唑

IUPAC Traditional name

5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00461380

CAS Number

2138-98-933621-61-328004-62-8

PubChem SID

16099827024884634

PubChem CID

356899