3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile

C10H6FN3O2 — CID 107670454

IUPAC3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C10H6FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,5H2
InChIKeyNZGKSHOONWQFQF-UHFFFAOYSA-N
MW219.18 g/mol
LogP1.66
Rot. Bonds3

About 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile

3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile (PubChem CID 107670454) has the molecular formula C10H6FN3O2 and a molecular weight of 219.18 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
PubChem CID107670454
Molecular FormulaC10H6FN3O2
Molecular Weight219.18 g/mol
Exact Mass219.04
IUPAC Name3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C10H6FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,5H2
InChIKeyNZGKSHOONWQFQF-UHFFFAOYSA-N
XLogP1.66
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121
3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
CID 107670468
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
CID 91659594
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
CID 103793506
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile (CID 107670454) is 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2ncon2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile?
The InChIKey is NZGKSHOONWQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,5H2.
What are the key properties of 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile?
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile has a molecular weight of 219.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 107670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).