2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile

C17H11FN2O2 — CID 31681304

IUPAC2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11FN2O2/c18-14-7-5-12(6-8-14)17-20-15(11-22-17)10-21-16-4-2-1-3-13(16)9-19/h1-8,11H,10H2
InChIKeyWXSCNOMNHPCEKU-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.93
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile (PubChem CID 31681304) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
PubChem CID31681304
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11FN2O2/c18-14-7-5-12(6-8-14)17-20-15(11-22-17)10-21-16-4-2-1-3-13(16)9-19/h1-8,11H,10H2
InChIKeyWXSCNOMNHPCEKU-UHFFFAOYSA-N
XLogP3.93
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carbonitrile
CID 51106990
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 32563257
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 46531300
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10637727
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
3-chloro-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 24668715
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile (CID 31681304) is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile is N#Cc1ccccc1OCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile?
The InChIKey is WXSCNOMNHPCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-14-7-5-12(6-8-14)17-20-15(11-22-17)10-21-16-4-2-1-3-13(16)9-19/h1-8,11H,10H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile?
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile has a molecular weight of 294.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile is sourced from PubChem (CID 31681304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).