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

C16H14N2O — CID 66204991

IUPAC4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11-7-5-6-10-13(11)14-15(19-18-16(14)17)12-8-3-2-4-9-12/h2-10H,1H3,(H2,17,18)
InChIKeyOYNZXAWNIBNASH-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.90
Rot. Bonds2

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

4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine (PubChem CID 66204991) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
PubChem CID66204991
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11-7-5-6-10-13(11)14-15(19-18-16(14)17)12-8-3-2-4-9-12/h2-10H,1H3,(H2,17,18)
InChIKeyOYNZXAWNIBNASH-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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Related Compounds

5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(furan-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205205
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 81448884
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 107967130
5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 80538327

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine (CID 66204991) is 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1ccccc1.
What is the InChIKey of 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine?
The InChIKey is OYNZXAWNIBNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-5-6-10-13(11)14-15(19-18-16(14)17)12-8-3-2-4-9-12/h2-10H,1H3,(H2,17,18).
What are the key properties of 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine?
4-(2-methylphenyl)-5-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 4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).