N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C20H24FN3O3 — CID 56886684

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)no1
InChIInChI=1S/C20H24FN3O3/c1-13(2)9-17-11-18(23-27-17)20(26)22-16-10-19(25)24(12-16)8-7-14-3-5-15(21)6-4-14/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,26)
InChIKeyNJLBIKZELBYDBL-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.59
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 56886684) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID56886684
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)no1
InChIInChI=1S/C20H24FN3O3/c1-13(2)9-17-11-18(23-27-17)20(26)22-16-10-19(25)24(12-16)8-7-14-3-5-15(21)6-4-14/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,26)
InChIKeyNJLBIKZELBYDBL-UHFFFAOYSA-N
XLogP2.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 95730020

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 56886684) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NC2CC(=O)N(CCc3ccc(F)cc3)C2)no1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NJLBIKZELBYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13(2)9-17-11-18(23-27-17)20(26)22-16-10-19(25)24(12-16)8-7-14-3-5-15(21)6-4-14/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56886684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).