2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile

C12H11FN2O2 — CID 91118059

IUPAC2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile
SMILESCC1=CC(COc2cccc(F)c2C#N)ON1
InChIInChI=1S/C12H11FN2O2/c1-8-5-9(17-15-8)7-16-12-4-2-3-11(13)10(12)6-14/h2-5,9,15H,7H2,1H3
InChIKeyXZWSOBGWSDQRPS-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile

2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile (PubChem CID 91118059) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile
PubChem CID91118059
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile
SMILESCC1=CC(COc2cccc(F)c2C#N)ON1
InChIInChI=1S/C12H11FN2O2/c1-8-5-9(17-15-8)7-16-12-4-2-3-11(13)10(12)6-14/h2-5,9,15H,7H2,1H3
InChIKeyXZWSOBGWSDQRPS-UHFFFAOYSA-N
XLogP1.88
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile (CID 91118059) is 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile is CC1=CC(COc2cccc(F)c2C#N)ON1.
What is the InChIKey of 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile?
The InChIKey is XZWSOBGWSDQRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-5-9(17-15-8)7-16-12-4-2-3-11(13)10(12)6-14/h2-5,9,15H,7H2,1H3.
What are the key properties of 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile?
2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile has a molecular weight of 234.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-methyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]benzonitrile is sourced from PubChem (CID 91118059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).