5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one

C20H18FN3O3 — CID 41037018

IUPAC5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H](c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O)N1CCCC1
InChIInChI=1S/C20H18FN3O3/c21-16-10-8-15(9-11-16)18-22-24(20(26)27-18)17(14-6-2-1-3-7-14)19(25)23-12-4-5-13-23/h1-3,6-11,17H,4-5,12-13H2/t17-/m1/s1
InChIKeyWETLJKJQERFQNV-QGZVFWFLSA-N
MW367.38 g/mol
LogP2.85
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one (PubChem CID 41037018) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one
PubChem CID41037018
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one
SMILESO=C([C@@H](c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O)N1CCCC1
InChIInChI=1S/C20H18FN3O3/c21-16-10-8-15(9-11-16)18-22-24(20(26)27-18)17(14-6-2-1-3-7-14)19(25)23-12-4-5-13-23/h1-3,6-11,17H,4-5,12-13H2/t17-/m1/s1
InChIKeyWETLJKJQERFQNV-QGZVFWFLSA-N
XLogP2.85
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 46825838
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
5-(4-fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
N-(4-fluorophenyl)-2-[4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperazin-1-yl]acetamide
CID 30734011
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7704885
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 50755604
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 859932
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 43031631

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one (CID 41037018) is 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one is O=C([C@@H](c1ccccc1)n1nc(-c2ccc(F)cc2)oc1=O)N1CCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is WETLJKJQERFQNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-16-10-8-15(9-11-16)18-22-24(20(26)27-18)17(14-6-2-1-3-7-14)19(25)23-12-4-5-13-23/h1-3,6-11,17H,4-5,12-13H2/t17-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 367.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 41037018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).