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

C21H22N2O5 — CID 139590039

IUPAC2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1OC
InChIInChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-11-14-7-4-5-9-16(14)24)23-21(28-13)15-8-6-10-17(26-2)19(15)27-3/h4-10,24H,11-12H2,1-3H3,(H,22,25)
InChIKeyJAOSYQCRISHFFL-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.35
Rot. Bonds7

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

2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 139590039) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID139590039
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1OC
InChIInChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-11-14-7-4-5-9-16(14)24)23-21(28-13)15-8-6-10-17(26-2)19(15)27-3/h4-10,24H,11-12H2,1-3H3,(H,22,25)
InChIKeyJAOSYQCRISHFFL-UHFFFAOYSA-N
XLogP3.35
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 139590039) is 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NCCc3ccccc3O)c(C)o2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JAOSYQCRISHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-11-14-7-4-5-9-16(14)24)23-21(28-13)15-8-6-10-17(26-2)19(15)27-3/h4-10,24H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139590039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).