(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C18H21NO3 — CID 11370014

IUPAC(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CC=CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-7-5-6-10-16(13)17(20)19-15(12-22-18(19)21)11-14-8-3-2-4-9-14/h2-6,8-9,13,15-16H,7,10-12H2,1H3/t13-,15-,16-/m1/s1
InChIKeyVAODXLAMUKUHMM-FVQBIDKESA-N
MW299.37 g/mol
LogP3.18
Rot. Bonds3

About (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11370014) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11370014
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CC=CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-7-5-6-10-16(13)17(20)19-15(12-22-18(19)21)11-14-8-3-2-4-9-14/h2-6,8-9,13,15-16H,7,10-12H2,1H3/t13-,15-,16-/m1/s1
InChIKeyVAODXLAMUKUHMM-FVQBIDKESA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 11370014) is (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is C[C@@H]1CC=CC[C@H]1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is VAODXLAMUKUHMM-FVQBIDKESA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-7-5-6-10-16(13)17(20)19-15(12-22-18(19)21)11-14-8-3-2-4-9-14/h2-6,8-9,13,15-16H,7,10-12H2,1H3/t13-,15-,16-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11370014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).