[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone

C15H17F2NO3 — CID 129188796

IUPAC[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2OCC[C@H]2c2ccc(F)c(F)c2)CCOC1
InChIInChI=1S/C15H17F2NO3/c1-15(5-7-20-9-15)14(19)18-13(4-6-21-18)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3/t13-,15?/m0/s1
InChIKeyOHJHQSMQCFALHT-CFMCSPIPSA-N
MW297.30 g/mol
LogP2.60
Rot. Bonds2

About [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone

[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone (PubChem CID 129188796) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone
PubChem CID129188796
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2OCC[C@H]2c2ccc(F)c(F)c2)CCOC1
InChIInChI=1S/C15H17F2NO3/c1-15(5-7-20-9-15)14(19)18-13(4-6-21-18)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3/t13-,15?/m0/s1
InChIKeyOHJHQSMQCFALHT-CFMCSPIPSA-N
XLogP2.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone?
The IUPAC name of [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone (CID 129188796) is [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone?
The canonical SMILES for [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone is CC1(C(=O)N2OCC[C@H]2c2ccc(F)c(F)c2)CCOC1.
What is the InChIKey of [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone?
The InChIKey is OHJHQSMQCFALHT-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-15(5-7-20-9-15)14(19)18-13(4-6-21-18)10-2-3-11(16)12(17)8-10/h2-3,8,13H,4-7,9H2,1H3/t13-,15?/m0/s1.
What are the key properties of [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone?
[(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone has a molecular weight of 297.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,4-difluorophenyl)-1,2-oxazolidin-2-yl]-(3-methyloxolan-3-yl)methanone is sourced from PubChem (CID 129188796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).