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

C15H25F2NO3 — CID 67937415

IUPAC(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
SMILESCC(C)OCC(F)(F)C1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyYCOMQGQLKTTWOY-UEWDXFNNSA-N
MW305.37 g/mol
LogP3.49
Rot. Bonds6

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

(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one (PubChem CID 67937415) has the molecular formula C15H25F2NO3 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
PubChem CID67937415
Molecular FormulaC15H25F2NO3
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
SMILESCC(C)OCC(F)(F)C1OC(=O)N[C@H]1CC1CCCCC1
InChIInChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyYCOMQGQLKTTWOY-UEWDXFNNSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11503830
(3R,4S)-1,3-dihydroxy-2,2-difluoro-4-t-butyloxycarbonylamino-5-cyclo-hexylpentane
CID 18634371
(4S,5R)-4-(cyclohexylmethyl)-5-[2-(dimethylamino)-1,1-difluoroethyl]-1,3-oxazolidin-2-one
CID 22847401
(4S,5R)-5-(2-azido-1,1-difluoroethyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one
CID 22847402
(4S)-4-[[4-(4,4-difluoro-2-methyl-3-oxobutyl)cyclohexyl]methyl]-1,3-oxazolidin-2-one
CID 22849148
[2-[4-(Cyclohexylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-2,2-difluoroethyl] methanesulfonate
CID 53741957
[2-[(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-2,2-difluoroethyl] methanesulfonate
CID 53741958
4-(Cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
CID 54125980
(4S)-4-(3-amino-4,4-difluoro-2-methylbutyl)-4-(cyclohexylmethyl)-1,3-oxazolidin-2-one
CID 54534663
(5R,4S)-4-Cyclohexylmethyl-5-(2-hydroxy-1,1-difluoroethyl)-2-oxazolidinone
CID 56999409
(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
CID 57119363
(4S,5R)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one
CID 70403235

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one (CID 67937415) is (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one is CC(C)OCC(F)(F)C1OC(=O)N[C@H]1CC1CCCCC1.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is YCOMQGQLKTTWOY-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H25F2NO3/c1-10(2)20-9-15(16,17)13-12(18-14(19)21-13)8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one?
(4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylmethyl)-5-(1,1-difluoro-2-propan-2-yloxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67937415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).