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

C16H14N2O — CID 66199506

IUPAC5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-14(16(17)18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18)
InChIKeyYUAAJOIFIWBIOV-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.90
Rot. Bonds2

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

5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66199506) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66199506
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-14(16(17)18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18)
InChIKeyYUAAJOIFIWBIOV-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 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine (CID 66199506) is 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is YUAAJOIFIWBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-9-13(10-8-11)15-14(16(17)18-19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18).
What are the key properties of 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine?
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-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 5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).