5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C21H20N4O3 — CID 126777850

IUPAC5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3c(-c4ccccn4)noc3C)C2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-15(9-7-13)25-12-10-17(21(25)27)23-20(26)18-14(2)28-24-19(18)16-5-3-4-11-22-16/h3-9,11,17H,10,12H2,1-2H3,(H,23,26)
InChIKeyQFZCXOGNBQXLNJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.89
Rot. Bonds4

About 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 126777850) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID126777850
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)c3c(-c4ccccn4)noc3C)C2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-15(9-7-13)25-12-10-17(21(25)27)23-20(26)18-14(2)28-24-19(18)16-5-3-4-11-22-16/h3-9,11,17H,10,12H2,1-2H3,(H,23,26)
InChIKeyQFZCXOGNBQXLNJ-UHFFFAOYSA-N
XLogP2.89
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
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5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
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5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
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US11306078, Example 4.030
CID 141678017

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 126777850) is 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is Cc1ccc(N2CCC(NC(=O)c3c(-c4ccccn4)noc3C)C2=O)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QFZCXOGNBQXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-6-8-15(9-7-13)25-12-10-17(21(25)27)23-20(26)18-14(2)28-24-19(18)16-5-3-4-11-22-16/h3-9,11,17H,10,12H2,1-2H3,(H,23,26).
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126777850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).