2-(4-methylphenyl)-1,3-benzoxazol-5-amine

C14H12N2O — CID 721879

IUPAC2-(4-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3
InChIKeyHSZLOKDLSZAZCH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.39
Rot. Bonds1

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

2-(4-methylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 721879) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-benzoxazol-5-amine
PubChem CID721879
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(4-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3
InChIKeyHSZLOKDLSZAZCH-UHFFFAOYSA-N
XLogP3.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-methylphenyl)-1,3-benzoxazol-5-amine (CID 721879) is 2-(4-methylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-methylphenyl)-1,3-benzoxazol-5-amine is Cc1ccc(-c2nc3cc(N)ccc3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is HSZLOKDLSZAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-benzoxazol-5-amine?
2-(4-methylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 224.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 721879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).