N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

C12H10FN3O2 — CID 3251832

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CC1
InChIInChI=1S/C12H10FN3O2/c13-9-5-3-8(4-6-9)11-15-16-12(18-11)14-10(17)7-1-2-7/h3-7H,1-2H2,(H,14,16,17)
InChIKeyLSDBBUMQARWUPF-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.22
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 3251832) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
PubChem CID3251832
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CC1
InChIInChI=1S/C12H10FN3O2/c13-9-5-3-8(4-6-9)11-15-16-12(18-11)14-10(17)7-1-2-7/h3-7H,1-2H2,(H,14,16,17)
InChIKeyLSDBBUMQARWUPF-UHFFFAOYSA-N
XLogP2.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41228079
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
1-(4-fluorophenyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 43977348
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 156584981
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155302619
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41227508
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43972272
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (CID 3251832) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CC1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is LSDBBUMQARWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-5-3-8(4-6-9)11-15-16-12(18-11)14-10(17)7-1-2-7/h3-7H,1-2H2,(H,14,16,17).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 247.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 3251832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).