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

C16H14N2O — CID 5329849

IUPACN-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCc1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyXLGKHWGSIZWZNN-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.39
Rot. Bonds3

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

N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329849) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329849
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCc1cccc(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyXLGKHWGSIZWZNN-UHFFFAOYSA-N
XLogP4.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329849) is N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine is Cc1cccc(Nc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is XLGKHWGSIZWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 250.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).