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

C15H14N2O2 — CID 762774

IUPAC2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine
SMILESCCOc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H14N2O2/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2,16H2,1H3
InChIKeyUANBPNLCEURUTH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.48
Rot. Bonds3

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

2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine (PubChem CID 762774) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine
PubChem CID762774
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine
SMILESCCOc1ccc(-c2nc3cc(N)ccc3o2)cc1
InChIInChI=1S/C15H14N2O2/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2,16H2,1H3
InChIKeyUANBPNLCEURUTH-UHFFFAOYSA-N
XLogP3.48
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine (CID 762774) is 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine is CCOc1ccc(-c2nc3cc(N)ccc3o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is UANBPNLCEURUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2,16H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine?
2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 762774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).