5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C17H16N4O3 — CID 90515715

IUPAC5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)no1
InChIInChI=1S/C17H16N4O3/c1-12-9-15(20-24-12)17(23)18-7-8-21-11-19-14(10-16(21)22)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,23)
InChIKeyTWRJZKILKAZVLX-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.64
Rot. Bonds5

About 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 90515715) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID90515715
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)no1
InChIInChI=1S/C17H16N4O3/c1-12-9-15(20-24-12)17(23)18-7-8-21-11-19-14(10-16(21)22)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,23)
InChIKeyTWRJZKILKAZVLX-UHFFFAOYSA-N
XLogP1.64
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 90515676
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 90515715) is 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)no1.
What is the InChIKey of 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TWRJZKILKAZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12-9-15(20-24-12)17(23)18-7-8-21-11-19-14(10-16(21)22)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,23).
What are the key properties of 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90515715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).