7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C22H20N2O4 — CID 24800423

IUPAC7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
InChIKeyVCWXWVQQCDUJCG-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.26
Rot. Bonds6

About 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24800423) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID24800423
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
InChIKeyVCWXWVQQCDUJCG-UHFFFAOYSA-N
XLogP5.26
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine 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 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 24800423) is 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is VCWXWVQQCDUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24).
What are the key properties of 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 376.41 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24800423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).