N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

C13H16N4O3 — CID 122356048

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cnoc2C)c(C)n1
InChIInChI=1S/C13H16N4O3/c1-5-19-13-15-7(2)11(8(3)16-13)17-12(18)10-6-14-20-9(10)4/h6H,5H2,1-4H3,(H,17,18)
InChIKeyMKVPOIGSSRLLNR-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.04
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 122356048) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID122356048
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cnoc2C)c(C)n1
InChIInChI=1S/C13H16N4O3/c1-5-19-13-15-7(2)11(8(3)16-13)17-12(18)10-6-14-20-9(10)4/h6H,5H2,1-4H3,(H,17,18)
InChIKeyMKVPOIGSSRLLNR-UHFFFAOYSA-N
XLogP2.04
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
CID 122356065
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 122355959
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356030
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,5-dinitrobenzamide
CID 122356187
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 122356048) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCOc1nc(C)c(NC(=O)c2cnoc2C)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MKVPOIGSSRLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-5-19-13-15-7(2)11(8(3)16-13)17-12(18)10-6-14-20-9(10)4/h6H,5H2,1-4H3,(H,17,18).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122356048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).