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

C16H17NO4 — CID 67112360

IUPAC(4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H]1CC=C[C@@H]1O
InChIInChI=1S/C16H17NO4/c18-14-8-4-7-13(14)15(19)17-12(10-21-16(17)20)9-11-5-2-1-3-6-11/h1-6,8,12-14,18H,7,9-10H2/t12-,13+,14+/m1/s1
InChIKeyDDSIGQSDXSMOPL-RDBSUJKOSA-N
MW287.31 g/mol
LogP1.51
Rot. Bonds3

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

(4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 67112360) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID67112360
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H]1CC=C[C@@H]1O
InChIInChI=1S/C16H17NO4/c18-14-8-4-7-13(14)15(19)17-12(10-21-16(17)20)9-11-5-2-1-3-6-11/h1-6,8,12-14,18H,7,9-10H2/t12-,13+,14+/m1/s1
InChIKeyDDSIGQSDXSMOPL-RDBSUJKOSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 67112360) is (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H]1CC=C[C@@H]1O.
What is the InChIKey of (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DDSIGQSDXSMOPL-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H17NO4/c18-14-8-4-7-13(14)15(19)17-12(10-21-16(17)20)9-11-5-2-1-3-6-11/h1-6,8,12-14,18H,7,9-10H2/t12-,13+,14+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 287.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(1S,2S)-2-hydroxycyclopent-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67112360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).