3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one

C12H12ClFN2O2 — CID 67941637

IUPAC3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1c(F)ccc(NC2CC2)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c13-10-9(15-7-1-2-7)4-3-8(14)11(10)16-5-6-18-12(16)17/h3-4,7,15H,1-2,5-6H2
InChIKeyQYOWAOPVMBDNBQ-UHFFFAOYSA-N
MW270.69 g/mol
LogP3.01
Rot. Bonds3

About 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one

3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 67941637) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID67941637
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1c(F)ccc(NC2CC2)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c13-10-9(15-7-1-2-7)4-3-8(14)11(10)16-5-6-18-12(16)17/h3-4,7,15H,1-2,5-6H2
InChIKeyQYOWAOPVMBDNBQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
CID 87670002
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264
1-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[(1R,2R)-2-methylcyclopentyl]urea
CID 95308998
[3,5-dichloro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-methoxyazanium
CID 144841807
3-bromo-N-cyclopropyl-2,4-difluoroaniline
CID 101495757
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
2,6-dichloro-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyridine-3-carboxamide
CID 52803736
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
N-(2,3,4-trifluorophenyl)cycloheptanamine
CID 29277673

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one (CID 67941637) is 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1c(F)ccc(NC2CC2)c1Cl.
What is the InChIKey of 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is QYOWAOPVMBDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-10-9(15-7-1-2-7)4-3-8(14)11(10)16-5-6-18-12(16)17/h3-4,7,15H,1-2,5-6H2.
What are the key properties of 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one?
3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 270.69 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-(cyclopropylamino)-6-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67941637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).