2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole

C16H15NO4 — CID 135000603

IUPAC2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1cc(OC)c(-c2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H15NO4/c1-18-13-9-15(20-3)14(19-2)8-10(13)16-17-11-6-4-5-7-12(11)21-16/h4-9H,1-3H3
InChIKeyWHHYHBVLJIZPLL-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.52
Rot. Bonds4

About 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole

2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole (PubChem CID 135000603) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole
PubChem CID135000603
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole
SMILESCOc1cc(OC)c(-c2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H15NO4/c1-18-13-9-15(20-3)14(19-2)8-10(13)16-17-11-6-4-5-7-12(11)21-16/h4-9H,1-3H3
InChIKeyWHHYHBVLJIZPLL-UHFFFAOYSA-N
XLogP3.52
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole (CID 135000603) is 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole is COc1cc(OC)c(-c2nc3ccccc3o2)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole?
The InChIKey is WHHYHBVLJIZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-18-13-9-15(20-3)14(19-2)8-10(13)16-17-11-6-4-5-7-12(11)21-16/h4-9H,1-3H3.
What are the key properties of 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole?
2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole has a molecular weight of 285.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 135000603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).