N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H14N4O3S — CID 122302836

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2cc(-c3cccs3)on2)c(C)n1
InChIInChI=1S/C15H14N4O3S/c1-8-13(9(2)17-15(16-8)21-3)18-14(20)10-7-11(22-19-10)12-5-4-6-23-12/h4-7H,1-3H3,(H,18,20)
InChIKeyLJCZEWYFQKKABU-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.07
Rot. Bonds4

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122302836) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122302836
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2cc(-c3cccs3)on2)c(C)n1
InChIInChI=1S/C15H14N4O3S/c1-8-13(9(2)17-15(16-8)21-3)18-14(20)10-7-11(22-19-10)12-5-4-6-23-12/h4-7H,1-3H3,(H,18,20)
InChIKeyLJCZEWYFQKKABU-UHFFFAOYSA-N
XLogP3.07
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122357285
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122302827
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
CID 17011461
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
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-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122304519
N-(2-methoxy-5-sulfamoylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52565008
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122302836) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1nc(C)c(NC(=O)c2cc(-c3cccs3)on2)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LJCZEWYFQKKABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-8-13(9(2)17-15(16-8)21-3)18-14(20)10-7-11(22-19-10)12-5-4-6-23-12/h4-7H,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122302836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).