5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

C12H8ClN3O2 — CID 99963115

IUPAC5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(Cl)cc3)n2)co1
InChIInChI=1S/C12H8ClN3O2/c1-7-14-10(6-17-7)11-15-12(18-16-11)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyXCNSPJPRFYVBLW-UHFFFAOYSA-N
MW261.67 g/mol
LogP3.35
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 99963115) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID99963115
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(Cl)cc3)n2)co1
InChIInChI=1S/C12H8ClN3O2/c1-7-14-10(6-17-7)11-15-12(18-16-11)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyXCNSPJPRFYVBLW-UHFFFAOYSA-N
XLogP3.35
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
CID 2726956
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 23931680
(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130517493
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
3,6-dichloro-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050440

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (CID 99963115) is 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is Cc1nc(-c2noc(-c3ccc(Cl)cc3)n2)co1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is XCNSPJPRFYVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c1-7-14-10(6-17-7)11-15-12(18-16-11)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 261.67 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 99963115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).