4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile

C11H8FN3O3 — CID 163183553

IUPAC4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nnc(F)o1
InChIInChI=1S/C11H8FN3O3/c1-16-9-4-7(5-13)2-3-8(9)17-6-10-14-15-11(12)18-10/h2-4H,6H2,1H3
InChIKeyXBTFDEFNABIHQW-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.67
Rot. Bonds4

About 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile

4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile (PubChem CID 163183553) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile
PubChem CID163183553
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nnc(F)o1
InChIInChI=1S/C11H8FN3O3/c1-16-9-4-7(5-13)2-3-8(9)17-6-10-14-15-11(12)18-10/h2-4H,6H2,1H3
InChIKeyXBTFDEFNABIHQW-UHFFFAOYSA-N
XLogP1.67
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile 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-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile (CID 163183553) is 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1nnc(F)o1.
What is the InChIKey of 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile?
The InChIKey is XBTFDEFNABIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c1-16-9-4-7(5-13)2-3-8(9)17-6-10-14-15-11(12)18-10/h2-4H,6H2,1H3.
What are the key properties of 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile?
4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile has a molecular weight of 249.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 163183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).