4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine

C17H17N3O — CID 139234570

IUPAC4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-15(17(18)21-20-12)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,16,19H,18H2,1H3
InChIKeyGQMRRCAYJRBTRP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.77
Rot. Bonds4

About 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine

4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine (PubChem CID 139234570) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine
PubChem CID139234570
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-15(17(18)21-20-12)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,16,19H,18H2,1H3
InChIKeyGQMRRCAYJRBTRP-UHFFFAOYSA-N
XLogP3.77
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine (CID 139234570) is 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine is Cc1noc(N)c1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
The InChIKey is GQMRRCAYJRBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-15(17(18)21-20-12)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,16,19H,18H2,1H3.
What are the key properties of 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine?
4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino(phenyl)methyl]-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 139234570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).