3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile

C11H9FN2O2 — CID 117010575

IUPAC3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESN#CC1COC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)14-6-8(5-13)7-16-11(14)15/h1-4,8H,6-7H2
InChIKeyGWCRCYDZWMHAFI-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.92
Rot. Bonds1

About 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile

3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile (PubChem CID 117010575) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
PubChem CID117010575
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESN#CC1COC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)14-6-8(5-13)7-16-11(14)15/h1-4,8H,6-7H2
InChIKeyGWCRCYDZWMHAFI-UHFFFAOYSA-N
XLogP1.92
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
CID 117010595
3-(4-chloro-2-methylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010581
3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010522
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
3-(4-cyanophenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010301
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
1-[4-(4-fluorophenyl)phenyl]piperidine-4-carbonitrile
CID 135324308
3-(4-methylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83850738
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile (CID 117010575) is 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile is N#CC1COC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
The InChIKey is GWCRCYDZWMHAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)14-6-8(5-13)7-16-11(14)15/h1-4,8H,6-7H2.
What are the key properties of 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile?
3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile has a molecular weight of 220.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile is sourced from PubChem (CID 117010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).