(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide

C25H20N4O3 — CID 94081056

IUPAC(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H20N4O3/c30-22-15-19(16-29(22)21-9-5-2-6-10-21)24(31)26-20-13-11-18(12-14-20)25-27-23(28-32-25)17-7-3-1-4-8-17/h1-14,19H,15-16H2,(H,26,31)/t19-/m0/s1
InChIKeyXYHONXLMTQXRRQ-IBGZPJMESA-N
MW424.46 g/mol
LogP4.40
Rot. Bonds5

About (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide

(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 94081056) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID94081056
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H20N4O3/c30-22-15-19(16-29(22)21-9-5-2-6-10-21)24(31)26-20-13-11-18(12-14-20)25-27-23(28-32-25)17-7-3-1-4-8-17/h1-14,19H,15-16H2,(H,26,31)/t19-/m0/s1
InChIKeyXYHONXLMTQXRRQ-IBGZPJMESA-N
XLogP4.40
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50747767
(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92870351
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3R)-1-benzyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95740886
(3R)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 94081056) is (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XYHONXLMTQXRRQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H20N4O3/c30-22-15-19(16-29(22)21-9-5-2-6-10-21)24(31)26-20-13-11-18(12-14-20)25-27-23(28-32-25)17-7-3-1-4-8-17/h1-14,19H,15-16H2,(H,26,31)/t19-/m0/s1.
What are the key properties of (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94081056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).