3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile

C10H9FN2O — CID 174175273

IUPAC3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile
SMILESN#Cc1cc(F)cc(C2CCON2)c1
InChIInChI=1S/C10H9FN2O/c11-9-4-7(6-12)3-8(5-9)10-1-2-14-13-10/h3-5,10,13H,1-2H2
InChIKeyTYHDZLDUPSNGPW-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.66
Rot. Bonds1

About 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile

3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile (PubChem CID 174175273) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile
PubChem CID174175273
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile
SMILESN#Cc1cc(F)cc(C2CCON2)c1
InChIInChI=1S/C10H9FN2O/c11-9-4-7(6-12)3-8(5-9)10-1-2-14-13-10/h3-5,10,13H,1-2H2
InChIKeyTYHDZLDUPSNGPW-UHFFFAOYSA-N
XLogP1.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile (CID 174175273) is 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile is N#Cc1cc(F)cc(C2CCON2)c1.
What is the InChIKey of 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile?
The InChIKey is TYHDZLDUPSNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-4-7(6-12)3-8(5-9)10-1-2-14-13-10/h3-5,10,13H,1-2H2.
What are the key properties of 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile?
3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1,2-oxazolidin-3-yl)benzonitrile is sourced from PubChem (CID 174175273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).