2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile

C13H10FN3O — CID 106523840

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C13H10FN3O/c14-10-3-1-8(2-4-10)5-12-16-13(18-17-12)11-6-9(11)7-15/h1-4,9,11H,5-6H2
InChIKeyQJSJFWYNKNTMDO-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.43
Rot. Bonds3

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

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106523840) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106523840
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C13H10FN3O/c14-10-3-1-8(2-4-10)5-12-16-13(18-17-12)11-6-9(11)7-15/h1-4,9,11H,5-6H2
InChIKeyQJSJFWYNKNTMDO-UHFFFAOYSA-N
XLogP2.43
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106523840) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is N#CC1CC1c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is QJSJFWYNKNTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-3-1-8(2-4-10)5-12-16-13(18-17-12)11-6-9(11)7-15/h1-4,9,11H,5-6H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106523840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).