[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H18FN3O2 — CID 72935420

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-15(20-23-19-11)14-3-2-10-21(14)16(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyFJCOHURSGAAQFF-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.91
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 72935420) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID72935420
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-15(20-23-19-11)14-3-2-10-21(14)16(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-10H2,1H3
InChIKeyFJCOHURSGAAQFF-UHFFFAOYSA-N
XLogP2.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427533
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 51492718
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 70717244
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124961992
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
[1-(4-methoxyphenyl)cyclopropyl]-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91918871
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 45246582

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 72935420) is [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nonc1C1CCCN1C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FJCOHURSGAAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-15(20-23-19-11)14-3-2-10-21(14)16(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72935420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).