N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H13FN4O2 — CID 104970724

IUPACN-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H13FN4O2/c14-8-4-1-2-5-9(8)16-12(19)11-17-13(20-18-11)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,19)
InChIKeyLJQCCSCOBGCMKS-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.89
Rot. Bonds3

About N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970724) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970724
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H13FN4O2/c14-8-4-1-2-5-9(8)16-12(19)11-17-13(20-18-11)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,19)
InChIKeyLJQCCSCOBGCMKS-UHFFFAOYSA-N
XLogP1.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970772
N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970898
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970725
N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742138
N-(4-hydroxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971402
N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-(4-hydroxy-3-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742448
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(4-methyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971273
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970724) is N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1ccccc1F)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LJQCCSCOBGCMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-8-4-1-2-5-9(8)16-12(19)11-17-13(20-18-11)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,19).
What are the key properties of N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).