2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide

C20H20N2O5 — CID 139590040

IUPAC2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1O
InChIInChI=1S/C20H20N2O5/c1-12-17(19(25)21-11-10-13-6-3-4-8-15(13)23)22-20(27-12)14-7-5-9-16(26-2)18(14)24/h3-9,23-24H,10-11H2,1-2H3,(H,21,25)
InChIKeyYUSPGCFRDYKBJM-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.04
Rot. Bonds6

About 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide

2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 139590040) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID139590040
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1O
InChIInChI=1S/C20H20N2O5/c1-12-17(19(25)21-11-10-13-6-3-4-8-15(13)23)22-20(27-12)14-7-5-9-16(26-2)18(14)24/h3-9,23-24H,10-11H2,1-2H3,(H,21,25)
InChIKeyYUSPGCFRDYKBJM-UHFFFAOYSA-N
XLogP3.04
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide 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-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 139590040) is 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YUSPGCFRDYKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-17(19(25)21-11-10-13-6-3-4-8-15(13)23)22-20(27-12)14-7-5-9-16(26-2)18(14)24/h3-9,23-24H,10-11H2,1-2H3,(H,21,25).
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139590040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).