3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile

C10H8N2O2 — CID 130943305

IUPAC3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
SMILESN#Cc1cccc(C2COC(=O)N2)c1
InChIInChI=1S/C10H8N2O2/c11-5-7-2-1-3-8(4-7)9-6-14-10(13)12-9/h1-4,9H,6H2,(H,12,13)
InChIKeyBPXFPTZOSXWGEI-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.34
Rot. Bonds1

About 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile

3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile (PubChem CID 130943305) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
PubChem CID130943305
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
SMILESN#Cc1cccc(C2COC(=O)N2)c1
InChIInChI=1S/C10H8N2O2/c11-5-7-2-1-3-8(4-7)9-6-14-10(13)12-9/h1-4,9H,6H2,(H,12,13)
InChIKeyBPXFPTZOSXWGEI-UHFFFAOYSA-N
XLogP1.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
CID 79977917
3-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzonitrile
CID 171187829
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
3-[(1R)-3-oxocyclopentyl]benzonitrile
CID 162342996
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile?
The IUPAC name of 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile (CID 130943305) is 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile.
What is the SMILES notation for 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile?
The canonical SMILES for 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile is N#Cc1cccc(C2COC(=O)N2)c1.
What is the InChIKey of 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile?
The InChIKey is BPXFPTZOSXWGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-7-2-1-3-8(4-7)9-6-14-10(13)12-9/h1-4,9H,6H2,(H,12,13).
What are the key properties of 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile?
3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile is sourced from PubChem (CID 130943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).