5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine

C16H13ClN2O — CID 81324835

IUPAC5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1cc(Cl)cc(-c2onc(N)c2-c2ccccc2)c1
InChIInChI=1S/C16H13ClN2O/c1-10-7-12(9-13(17)8-10)15-14(16(18)19-20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,19)
InChIKeyVKKJWUDQZHKIBA-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.55
Rot. Bonds2

About 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine

5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 81324835) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID81324835
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1cc(Cl)cc(-c2onc(N)c2-c2ccccc2)c1
InChIInChI=1S/C16H13ClN2O/c1-10-7-12(9-13(17)8-10)15-14(16(18)19-20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,19)
InChIKeyVKKJWUDQZHKIBA-UHFFFAOYSA-N
XLogP4.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine 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-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine (CID 81324835) is 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine is Cc1cc(Cl)cc(-c2onc(N)c2-c2ccccc2)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is VKKJWUDQZHKIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-7-12(9-13(17)8-10)15-14(16(18)19-20-15)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 284.75 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81324835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).