N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide

C12H10FN3O2 — CID 166279971

IUPACN-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2nnco2)c(F)c1)C1CC1
InChIInChI=1S/C12H10FN3O2/c13-10-5-8(15-11(17)7-1-2-7)3-4-9(10)12-16-14-6-18-12/h3-7H,1-2H2,(H,15,17)
InChIKeyNBFCKNFOWIUNMD-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.22
Rot. Bonds3

About N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide

N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 166279971) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID166279971
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2nnco2)c(F)c1)C1CC1
InChIInChI=1S/C12H10FN3O2/c13-10-5-8(15-11(17)7-1-2-7)3-4-9(10)12-16-14-6-18-12/h3-7H,1-2H2,(H,15,17)
InChIKeyNBFCKNFOWIUNMD-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-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 12807520
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427
2-(2-fluoro-4-iodophenyl)-1,3,4-oxadiazole
CID 171373650
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide (CID 166279971) is N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2nnco2)c(F)c1)C1CC1.
What is the InChIKey of N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is NBFCKNFOWIUNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-5-8(15-11(17)7-1-2-7)3-4-9(10)12-16-14-6-18-12/h3-7H,1-2H2,(H,15,17).
What are the key properties of N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]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-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 166279971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).