(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H17ClFN3O3 — CID 25410147

IUPAC(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H17ClFN3O3/c22-15-3-1-13(2-4-15)19-10-17(25-29-19)11-24-21(28)14-9-20(27)26(12-14)18-7-5-16(23)6-8-18/h1-8,10,14H,9,11-12H2,(H,24,28)/t14-/m0/s1
InChIKeySZYKGNGEAKKICL-AWEZNQCLSA-N
MW413.84 g/mol
LogP3.80
Rot. Bonds5

About (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25410147) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25410147
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC Name(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(Cl)cc2)on1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H17ClFN3O3/c22-15-3-1-13(2-4-15)19-10-17(25-29-19)11-24-21(28)14-9-20(27)26(12-14)18-7-5-16(23)6-8-18/h1-8,10,14H,9,11-12H2,(H,24,28)/t14-/m0/s1
InChIKeySZYKGNGEAKKICL-AWEZNQCLSA-N
XLogP3.80
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
1-(3,4-dimethylphenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866705
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16867081
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 90555086
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 25410147) is (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cc(-c2ccc(Cl)cc2)on1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SZYKGNGEAKKICL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c22-15-3-1-13(2-4-15)19-10-17(25-29-19)11-24-21(28)14-9-20(27)26(12-14)18-7-5-16(23)6-8-18/h1-8,10,14H,9,11-12H2,(H,24,28)/t14-/m0/s1.
What are the key properties of (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25410147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).