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

C15H11ClN2O — CID 66199504

IUPAC5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-12-8-4-7-11(9-12)14-13(15(17)18-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18)
InChIKeyVSAFNCQDRCQXJN-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.24
Rot. Bonds2

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

5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66199504) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66199504
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-12-8-4-7-11(9-12)14-13(15(17)18-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18)
InChIKeyVSAFNCQDRCQXJN-UHFFFAOYSA-N
XLogP4.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 106856445

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine (CID 66199504) is 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(-c2cccc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is VSAFNCQDRCQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-8-4-7-11(9-12)14-13(15(17)18-19-14)10-5-2-1-3-6-10/h1-9H,(H2,17,18).
What are the key properties of 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine?
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 270.72 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).