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

C16H14N2O — CID 62829774

IUPAC4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccccc3)noc2N)c1
InChIInChI=1S/C16H14N2O/c1-11-6-5-9-13(10-11)14-15(18-19-16(14)17)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyIZCQHCUVMJBPGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.90
Rot. Bonds2

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

4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine (PubChem CID 62829774) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
PubChem CID62829774
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccccc3)noc2N)c1
InChIInChI=1S/C16H14N2O/c1-11-6-5-9-13(10-11)14-15(18-19-16(14)17)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyIZCQHCUVMJBPGF-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine (CID 62829774) is 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3ccccc3)noc2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine?
The InChIKey is IZCQHCUVMJBPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-5-9-13(10-11)14-15(18-19-16(14)17)12-7-3-2-4-8-12/h2-10H,17H2,1H3.
What are the key properties of 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine?
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine has a molecular weight of 250.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 62829774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).