1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C15H13F2N3O3 — CID 122158902

IUPAC1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1conc1NC(=O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C15H13F2N3O3/c1-8-7-23-19-14(8)18-15(22)9-5-12(21)20(6-9)13-10(16)3-2-4-11(13)17/h2-4,7,9H,5-6H2,1H3,(H,18,19,22)
InChIKeyJODMRHXGBGWLNP-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122158902) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122158902
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1conc1NC(=O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C15H13F2N3O3/c1-8-7-23-19-14(8)18-15(22)9-5-12(21)20(6-9)13-10(16)3-2-4-11(13)17/h2-4,7,9H,5-6H2,1H3,(H,18,19,22)
InChIKeyJODMRHXGBGWLNP-UHFFFAOYSA-N
XLogP2.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 154859529
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192355
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 8570889
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 122158902) is 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1conc1NC(=O)C1CC(=O)N(c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JODMRHXGBGWLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-8-7-23-19-14(8)18-15(22)9-5-12(21)20(6-9)13-10(16)3-2-4-11(13)17/h2-4,7,9H,5-6H2,1H3,(H,18,19,22).
What are the key properties of 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 321.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122158902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).