N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

C12H12N2O4 — CID 110689577

IUPACN-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cocn2)c(OC)c1
InChIInChI=1S/C12H12N2O4/c1-16-8-3-4-9(11(5-8)17-2)14-12(15)10-6-18-7-13-10/h3-7H,1-2H3,(H,14,15)
InChIKeyAWZKZZAVLQIOFS-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.94
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 110689577) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID110689577
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cocn2)c(OC)c1
InChIInChI=1S/C12H12N2O4/c1-16-8-3-4-9(11(5-8)17-2)14-12(15)10-6-18-7-13-10/h3-7H,1-2H3,(H,14,15)
InChIKeyAWZKZZAVLQIOFS-UHFFFAOYSA-N
XLogP1.94
TPSA73.59 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
4-N-(2,4-dimethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093166
[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid
CID 67772538
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338769
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 23908681
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (CID 110689577) is N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2cocn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AWZKZZAVLQIOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-16-8-3-4-9(11(5-8)17-2)14-12(15)10-6-18-7-13-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110689577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).