N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H16N4O4S — CID 122304519

IUPACN-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(-c3cccs3)on2)c(OCC)n1
InChIInChI=1S/C16H16N4O4S/c1-3-22-15-11(9-17-16(19-15)23-4-2)18-14(21)10-8-12(24-20-10)13-6-5-7-25-13/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyDGFOZQCFMKFCST-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.24
Rot. Bonds7

About N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122304519) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122304519
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCOc1ncc(NC(=O)c2cc(-c3cccs3)on2)c(OCC)n1
InChIInChI=1S/C16H16N4O4S/c1-3-22-15-11(9-17-16(19-15)23-4-2)18-14(21)10-8-12(24-20-10)13-6-5-7-25-13/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyDGFOZQCFMKFCST-UHFFFAOYSA-N
XLogP3.24
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-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

(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122304392
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122302836
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
CID 122304259
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122304519) is N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CCOc1ncc(NC(=O)c2cc(-c3cccs3)on2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DGFOZQCFMKFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-3-22-15-11(9-17-16(19-15)23-4-2)18-14(21)10-8-12(24-20-10)13-6-5-7-25-13/h5-9H,3-4H2,1-2H3,(H,18,21).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122304519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).