(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H36BNO3 — CID 11025448

IUPAC(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCB(CCCC)O/C(=C\Cc1ccccc1)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C23H36BNO3/c1-5-7-16-24(17-8-6-2)28-22(15-14-20-12-10-9-11-13-20)25-21(19(3)4)18-27-23(25)26/h9-13,15,19,21H,5-8,14,16-18H2,1-4H3/b22-15-/t21-/m0/s1
InChIKeyCWMDDQVZBAXZRN-FLVGQNKLSA-N
MW385.36 g/mol
LogP6.16
Rot. Bonds12

About (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11025448) has the molecular formula C23H36BNO3 and a molecular weight of 385.36 g/mol. Its IUPAC name is (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11025448
Molecular FormulaC23H36BNO3
Molecular Weight385.36 g/mol
Exact Mass385.28
IUPAC Name(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCB(CCCC)O/C(=C\Cc1ccccc1)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C23H36BNO3/c1-5-7-16-24(17-8-6-2)28-22(15-14-20-12-10-9-11-13-20)25-21(19(3)4)18-27-23(25)26/h9-13,15,19,21H,5-8,14,16-18H2,1-4H3/b22-15-/t21-/m0/s1
InChIKeyCWMDDQVZBAXZRN-FLVGQNKLSA-N
XLogP6.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11025448) is (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCB(CCCC)O/C(=C\Cc1ccccc1)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CWMDDQVZBAXZRN-FLVGQNKLSA-N. The full InChI is InChI=1S/C23H36BNO3/c1-5-7-16-24(17-8-6-2)28-22(15-14-20-12-10-9-11-13-20)25-21(19(3)4)18-27-23(25)26/h9-13,15,19,21H,5-8,14,16-18H2,1-4H3/b22-15-/t21-/m0/s1.
What are the key properties of (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 385.36 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11025448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).