[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate

C16H16N4O4 — CID 30473149

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H16N4O4/c1-11-15(18-20(17-11)12-6-3-2-4-7-12)16(23)24-10-14(22)19-9-5-8-13(19)21/h2-4,6-7H,5,8-10H2,1H3
InChIKeyJWPAAKJZZOSIJM-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.88
Rot. Bonds4

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate (PubChem CID 30473149) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate
PubChem CID30473149
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H16N4O4/c1-11-15(18-20(17-11)12-6-3-2-4-7-12)16(23)24-10-14(22)19-9-5-8-13(19)21/h2-4,6-7H,5,8-10H2,1H3
InChIKeyJWPAAKJZZOSIJM-UHFFFAOYSA-N
XLogP0.88
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
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[2-[(2S)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate
CID 51476635
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 2633537
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2631739
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
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CID 3662156
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7355663
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2627836
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate (CID 30473149) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate is Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate?
The InChIKey is JWPAAKJZZOSIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11-15(18-20(17-11)12-6-3-2-4-7-12)16(23)24-10-14(22)19-9-5-8-13(19)21/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate is sourced from PubChem (CID 30473149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).