(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

C17H16FN3O3 — CID 95623709

IUPAC(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)no1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H16FN3O3/c18-13-4-2-1-3-12(13)14-8-15(24-20-14)19-17(23)10-7-16(22)21(9-10)11-5-6-11/h1-4,8,10-11H,5-7,9H2,(H,19,23)/t10-/m1/s1
InChIKeyCRVOZYCMVZWQRH-SNVBAGLBSA-N
MW329.33 g/mol
LogP2.43
Rot. Bonds4

About (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95623709) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95623709
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)no1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H16FN3O3/c18-13-4-2-1-3-12(13)14-8-15(24-20-14)19-17(23)10-7-16(22)21(9-10)11-5-6-11/h1-4,8,10-11H,5-7,9H2,(H,19,23)/t10-/m1/s1
InChIKeyCRVOZYCMVZWQRH-SNVBAGLBSA-N
XLogP2.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 75401892
(3R)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95095083
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
(3R)-1-cyclopentyl-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438409
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
N-(2-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567869
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97082963
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 95623709) is (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(-c2ccccc2F)no1)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CRVOZYCMVZWQRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-4-2-1-3-12(13)14-8-15(24-20-14)19-17(23)10-7-16(22)21(9-10)11-5-6-11/h1-4,8,10-11H,5-7,9H2,(H,19,23)/t10-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95623709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).