(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one

C26H29NO5 — CID 135050641

IUPAC(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCCCCCC1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO5/c1-2-3-6-15-22-20(16-23(28)32-22)25(29)27-21(17-31-26(27)30)24(18-11-7-4-8-12-18)19-13-9-5-10-14-19/h4-5,7-14,20-22,24H,2-3,6,15-17H2,1H3/t20-,21+,22?/m1/s1
InChIKeyQJLLDKUNDYXLFH-LKXRKSRJSA-N
MW435.52 g/mol
LogP4.68
Rot. Bonds8

About (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 135050641) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID135050641
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCCCCCC1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO5/c1-2-3-6-15-22-20(16-23(28)32-22)25(29)27-21(17-31-26(27)30)24(18-11-7-4-8-12-18)19-13-9-5-10-14-19/h4-5,7-14,20-22,24H,2-3,6,15-17H2,1H3/t20-,21+,22?/m1/s1
InChIKeyQJLLDKUNDYXLFH-LKXRKSRJSA-N
XLogP4.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one (CID 135050641) is (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one is CCCCCC1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is QJLLDKUNDYXLFH-LKXRKSRJSA-N. The full InChI is InChI=1S/C26H29NO5/c1-2-3-6-15-22-20(16-23(28)32-22)25(29)27-21(17-31-26(27)30)24(18-11-7-4-8-12-18)19-13-9-5-10-14-19/h4-5,7-14,20-22,24H,2-3,6,15-17H2,1H3/t20-,21+,22?/m1/s1.
What are the key properties of (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135050641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).