3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C16H24BNO5 — CID 139632637

IUPAC3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OB([C@@H]2CC=CC[C@H]2C(=O)N2CCOC2=O)OC1(C)C
InChIInChI=1S/C16H24BNO5/c1-15(2)16(3,4)23-17(22-15)12-8-6-5-7-11(12)13(19)18-9-10-21-14(18)20/h5-6,11-12H,7-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyZTZCDFSDFUHNLW-VXGBXAGGSA-N
MW321.18 g/mol
LogP2.39
Rot. Bonds2

About 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 139632637) has the molecular formula C16H24BNO5 and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID139632637
Molecular FormulaC16H24BNO5
Molecular Weight321.18 g/mol
Exact Mass321.17
IUPAC Name3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OB([C@@H]2CC=CC[C@H]2C(=O)N2CCOC2=O)OC1(C)C
InChIInChI=1S/C16H24BNO5/c1-15(2)16(3,4)23-17(22-15)12-8-6-5-7-11(12)13(19)18-9-10-21-14(18)20/h5-6,11-12H,7-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyZTZCDFSDFUHNLW-VXGBXAGGSA-N
XLogP2.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 139632637) is 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is CC1(C)OB([C@@H]2CC=CC[C@H]2C(=O)N2CCOC2=O)OC1(C)C.
What is the InChIKey of 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is ZTZCDFSDFUHNLW-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24BNO5/c1-15(2)16(3,4)23-17(22-15)12-8-6-5-7-11(12)13(19)18-9-10-21-14(18)20/h5-6,11-12H,7-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 321.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,6R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139632637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).