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

C15H14N2O — CID 721074

IUPAC2-(4-ethylphenyl)-1,3-benzoxazol-5-amine
SMILESCCc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3
InChIKeyFKDOOGCZVMKBIT-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.64
Rot. Bonds2

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

2-(4-ethylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 721074) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-benzoxazol-5-amine
PubChem CID721074
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(4-ethylphenyl)-1,3-benzoxazol-5-amine
SMILESCCc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3
InChIKeyFKDOOGCZVMKBIT-UHFFFAOYSA-N
XLogP3.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.64
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-ethylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine (CID 721074) is 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine is CCc1ccc(-c2nc3cc(N)ccc3o2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is FKDOOGCZVMKBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine?
2-(4-ethylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 721074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).