2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide

C13H16N4O3 — CID 154771240

IUPAC2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)Nc2cc(CC)nc(C)n2)co1
InChIInChI=1S/C13H16N4O3/c1-4-9-6-11(15-8(3)14-9)17-12(18)10-7-20-13(16-10)19-5-2/h6-7H,4-5H2,1-3H3,(H,14,15,17,18)
InChIKeyZZPKEEAQDFDISA-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.99
Rot. Bonds5

About 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide

2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 154771240) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID154771240
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1nc(C(=O)Nc2cc(CC)nc(C)n2)co1
InChIInChI=1S/C13H16N4O3/c1-4-9-6-11(15-8(3)14-9)17-12(18)10-7-20-13(16-10)19-5-2/h6-7H,4-5H2,1-3H3,(H,14,15,17,18)
InChIKeyZZPKEEAQDFDISA-UHFFFAOYSA-N
XLogP1.99
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
2-ethoxy-N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-1,3-oxazole-4-carboxamide
CID 75455643
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81165130
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
5-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]furan-2-carboxamide
CID 133461590
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
(2Z,4E)-2,5-diamino-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-N-methyl-3-propan-2-ylpenta-2,4-dienamide;ethane
CID 178152198

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide (CID 154771240) is 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide is CCOc1nc(C(=O)Nc2cc(CC)nc(C)n2)co1.
What is the InChIKey of 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZZPKEEAQDFDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-4-9-6-11(15-8(3)14-9)17-12(18)10-7-20-13(16-10)19-5-2/h6-7H,4-5H2,1-3H3,(H,14,15,17,18).
What are the key properties of 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154771240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).