(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate

C18H25NO3 — CID 102406016

IUPAC(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
SMILESCC(=O)OC1CC(C2CCCCC2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H25NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2,4-5,8-9,16-18H,3,6-7,10-13H2,1H3
InChIKeyMHVXQHCYKXEOJG-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.66
Rot. Bonds4

About (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate

(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate (PubChem CID 102406016) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate.

Molecular Properties

Compound Name(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
PubChem CID102406016
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
SMILESCC(=O)OC1CC(C2CCCCC2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H25NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2,4-5,8-9,16-18H,3,6-7,10-13H2,1H3
InChIKeyMHVXQHCYKXEOJG-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
CID 86714742
methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate
CID 101184077
[(3S,5R)-2-benzyl-3-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazolidin-5-yl] acetate
CID 10531902
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
(2-acetyloxy-1-benzylpyrrolidin-3-yl) acetate
CID 69107040
benzyl (2S,3aS)-1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 134332338
ethyl (3S,4aR,8aR)-1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylate
CID 42624702
(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
CID 10541764
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
3-[(2-cyclohexylpyrrolidin-1-yl)methyl]benzoic acid
CID 122028648
[(5R)-5-phenylmethoxyoxan-2-yl] acetate
CID 102211258

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate?
The IUPAC name of (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate (CID 102406016) is (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate.
What is the SMILES notation for (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate?
The canonical SMILES for (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate is CC(=O)OC1CC(C2CCCCC2)N(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate?
The InChIKey is MHVXQHCYKXEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(20)21-18-12-17(16-10-6-3-7-11-16)19(22-18)13-15-8-4-2-5-9-15/h2,4-5,8-9,16-18H,3,6-7,10-13H2,1H3.
What are the key properties of (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate?
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate has a molecular weight of 303.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate is sourced from PubChem (CID 102406016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).