(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H19FN4O4 — CID 97427101

IUPAC(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O4/c25-17-7-9-18(10-8-17)29-14-16(13-22(29)30)24(31)26-19-5-2-1-4-15(19)12-21-27-23(28-33-21)20-6-3-11-32-20/h1-11,16H,12-14H2,(H,26,31)/t16-/m0/s1
InChIKeyBGKWSEJOEVLEPH-INIZCTEOSA-N
MW446.44 g/mol
LogP4.05
Rot. Bonds6

About (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97427101) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97427101
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O4/c25-17-7-9-18(10-8-17)29-14-16(13-22(29)30)24(31)26-19-5-2-1-4-15(19)12-21-27-23(28-33-21)20-6-3-11-32-20/h1-11,16H,12-14H2,(H,26,31)/t16-/m0/s1
InChIKeyBGKWSEJOEVLEPH-INIZCTEOSA-N
XLogP4.05
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 97427101) is (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BGKWSEJOEVLEPH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-17-7-9-18(10-8-17)29-14-16(13-22(29)30)24(31)26-19-5-2-1-4-15(19)12-21-27-23(28-33-21)20-6-3-11-32-20/h1-11,16H,12-14H2,(H,26,31)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97427101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).