4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one

C19H25NO3 — CID 19797155

IUPAC4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCC1CCCCC1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H25NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyXRKVQEVODHSBJF-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.94
Rot. Bonds5

About 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 19797155) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID19797155
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCC1CCCCC1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H25NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyXRKVQEVODHSBJF-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
CID 102401586
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-(2-cyclopentyloxyacetyl)-1,3-oxazolidin-2-one
CID 175591418
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one (CID 19797155) is 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one is O=C(CCC1CCCCC1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is XRKVQEVODHSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2.
What are the key properties of 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 315.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19797155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).