4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

C19H14BrFN4O3 — CID 92884640

IUPAC4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrFN4O3/c20-13-3-1-11(2-4-13)17(27)22-19-24-23-18(28-19)12-9-16(26)25(10-12)15-7-5-14(21)6-8-15/h1-8,12H,9-10H2,(H,22,24,27)/t12-/m0/s1
InChIKeyZYIVYQQRLHMVSC-LBPRGKRZSA-N
MW445.25 g/mol
LogP3.74
Rot. Bonds4

About 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 92884640) has the molecular formula C19H14BrFN4O3 and a molecular weight of 445.25 g/mol. Its IUPAC name is 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID92884640
Molecular FormulaC19H14BrFN4O3
Molecular Weight445.25 g/mol
Exact Mass444.02
IUPAC Name4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrFN4O3/c20-13-3-1-11(2-4-13)17(27)22-19-24-23-18(28-19)12-9-16(26)25(10-12)15-7-5-14(21)6-8-15/h1-8,12H,9-10H2,(H,22,24,27)/t12-/m0/s1
InChIKeyZYIVYQQRLHMVSC-LBPRGKRZSA-N
XLogP3.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393287
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-bromo-N-[5-[(3S)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898276
4-bromo-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836772
4-fluoro-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836671
4-tert-butyl-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884622
4-methyl-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898210
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 90603815
4-methylsulfanyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603897
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide (CID 92884640) is 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZYIVYQQRLHMVSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H14BrFN4O3/c20-13-3-1-11(2-4-13)17(27)22-19-24-23-18(28-19)12-9-16(26)25(10-12)15-7-5-14(21)6-8-15/h1-8,12H,9-10H2,(H,22,24,27)/t12-/m0/s1.
What are the key properties of 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide?
4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 445.25 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 92884640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).