4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile

C13H10FN3O2 — CID 91659594

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2nc(C3CC3)no2)c(F)c1
InChIInChI=1S/C13H10FN3O2/c14-10-5-8(6-15)1-4-11(10)18-7-12-16-13(17-19-12)9-2-3-9/h1,4-5,9H,2-3,7H2
InChIKeyFUOHDSNKERFBFF-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.54
Rot. Bonds4

About 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile (PubChem CID 91659594) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
PubChem CID91659594
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2nc(C3CC3)no2)c(F)c1
InChIInChI=1S/C13H10FN3O2/c14-10-5-8(6-15)1-4-11(10)18-7-12-16-13(17-19-12)9-2-3-9/h1,4-5,9H,2-3,7H2
InChIKeyFUOHDSNKERFBFF-UHFFFAOYSA-N
XLogP2.54
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile (CID 91659594) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCc2nc(C3CC3)no2)c(F)c1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile?
The InChIKey is FUOHDSNKERFBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-10-5-8(6-15)1-4-11(10)18-7-12-16-13(17-19-12)9-2-3-9/h1,4-5,9H,2-3,7H2.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile has a molecular weight of 259.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 91659594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).