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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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).