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

C12H12FN3O2 — CID 110393088

IUPACN-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)Nc2ccccc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyFTORITFSVXZTMB-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.58
Rot. Bonds3

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

N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393088) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393088
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)Nc2ccccc2F)o1
InChIInChI=1S/C12H12FN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,17)
InChIKeyFTORITFSVXZTMB-UHFFFAOYSA-N
XLogP2.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
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CID 110392971
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2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392339
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 110393088) is N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is CC(C)c1nnc(C(=O)Nc2ccccc2F)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FTORITFSVXZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).