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

C14H14FN3O2 — CID 70745179

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-9-13(17-20-16-9)14(19)18-8-2-3-12(18)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8H2,1H3
InChIKeyUSAUEZAFOJIWJE-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.49
Rot. Bonds2

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

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 70745179) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID70745179
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-9-13(17-20-16-9)14(19)18-8-2-3-12(18)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8H2,1H3
InChIKeyUSAUEZAFOJIWJE-UHFFFAOYSA-N
XLogP2.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 70745179) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is USAUEZAFOJIWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-13(17-20-16-9)14(19)18-8-2-3-12(18)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 275.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 70745179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).