N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

C13H16N4O4 — CID 122304461

IUPACN-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ncc(NC(=O)c2cnoc2C)c(OCC)n1
InChIInChI=1S/C13H16N4O4/c1-4-19-12-10(7-14-13(17-12)20-5-2)16-11(18)9-6-15-21-8(9)3/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKeySDAVKWFOURYTKI-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.82
Rot. Bonds6

About N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122304461) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122304461
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ncc(NC(=O)c2cnoc2C)c(OCC)n1
InChIInChI=1S/C13H16N4O4/c1-4-19-12-10(7-14-13(17-12)20-5-2)16-11(18)9-6-15-21-8(9)3/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKeySDAVKWFOURYTKI-UHFFFAOYSA-N
XLogP1.82
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-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

Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(2,4-diethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304384
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122304519
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 122304461) is N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCOc1ncc(NC(=O)c2cnoc2C)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SDAVKWFOURYTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-4-19-12-10(7-14-13(17-12)20-5-2)16-11(18)9-6-15-21-8(9)3/h6-7H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122304461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).