3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide

C12H12N2O4 — CID 776499

IUPAC3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)on2)c1
InChIInChI=1S/C12H12N2O4/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(13)15)18-14-9/h3-6H,1-2H3,(H2,13,15)
InChIKeyYNJAIEZGZRZMGX-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.46
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 776499) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID776499
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)on2)c1
InChIInChI=1S/C12H12N2O4/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(13)15)18-14-9/h3-6H,1-2H3,(H2,13,15)
InChIKeyYNJAIEZGZRZMGX-UHFFFAOYSA-N
XLogP1.46
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
CID 68866081
3-(2,5-dimethoxyphenyl)-5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,2-oxazole
CID 155811921
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117467353
3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411954
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxamide
CID 68516644
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 776499) is 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(N)=O)on2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YNJAIEZGZRZMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(13)15)18-14-9/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 776499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).