4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one

C15H25F2NO2S — CID 54125980

IUPAC4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)SCC(F)(F)C1OC(=O)NC1CC1CCCCC1
InChIInChI=1S/C15H25F2NO2S/c1-10(2)21-9-15(16,17)13-12(18-14(19)20-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyNQZJMAPZHDAISB-UHFFFAOYSA-N
MW321.43 g/mol
LogP4.21
Rot. Bonds6

About 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one

4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 54125980) has the molecular formula C15H25F2NO2S and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID54125980
Molecular FormulaC15H25F2NO2S
Molecular Weight321.43 g/mol
Exact Mass321.16
IUPAC Name4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)SCC(F)(F)C1OC(=O)NC1CC1CCCCC1
InChIInChI=1S/C15H25F2NO2S/c1-10(2)21-9-15(16,17)13-12(18-14(19)20-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyNQZJMAPZHDAISB-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one (CID 54125980) is 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one is CC(C)SCC(F)(F)C1OC(=O)NC1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is NQZJMAPZHDAISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO2S/c1-10(2)21-9-15(16,17)13-12(18-14(19)20-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 321.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54125980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).