(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one

C13H19F2NO3 — CID 54063360

IUPAC(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1CC1CCCCC1)C(F)F
InChIInChI=1S/C13H19F2NO3/c14-12(15)11(17)7-16-10(8-19-13(16)18)6-9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyMBHDLOWAFGVCMS-JTQLQIEISA-N
MW275.29 g/mol
LogP2.61
Rot. Bonds5

About (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one

(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one (PubChem CID 54063360) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one
PubChem CID54063360
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one
SMILESO=C(CN1C(=O)OC[C@@H]1CC1CCCCC1)C(F)F
InChIInChI=1S/C13H19F2NO3/c14-12(15)11(17)7-16-10(8-19-13(16)18)6-9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyMBHDLOWAFGVCMS-JTQLQIEISA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[Cyclohexyl(difluoro)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 101432698
(4S)-4-(cyclohexylmethyl)-3-[(1S)-3,3-difluoro-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 54052496
Tert-butyl 2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 70228632
tert-butyl (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 70228634
tert-butyl (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 70228636
4-Cyclohexyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103604
(4S,5R)-5-cyclohexyl-3-ethyl-4-methyl-1,3-oxazolidin-2-one
CID 70899637
(4S,5R)-5-cyclohexyl-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 137534947
5-Cyclohexyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 137535000

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one (CID 54063360) is (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one is O=C(CN1C(=O)OC[C@@H]1CC1CCCCC1)C(F)F.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one?
The InChIKey is MBHDLOWAFGVCMS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19F2NO3/c14-12(15)11(17)7-16-10(8-19-13(16)18)6-9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one?
(4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one has a molecular weight of 275.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylmethyl)-3-(3,3-difluoro-2-oxopropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54063360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).