(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one

C20H33NO4 — CID 57390274

IUPAC(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-14-18(22)17-15-25-20(24)21(17)19(23)16-12-10-11-13-16/h9,14,16-18,22H,2-8,10-13,15H2,1H3/b14-9+/t17-,18+/m0/s1
InChIKeyDMIPTBOHLUSYCT-OBNAIBOFSA-N
MW351.49 g/mol
LogP4.19
Rot. Bonds10

About (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 57390274) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one
PubChem CID57390274
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-14-18(22)17-15-25-20(24)21(17)19(23)16-12-10-11-13-16/h9,14,16-18,22H,2-8,10-13,15H2,1H3/b14-9+/t17-,18+/m0/s1
InChIKeyDMIPTBOHLUSYCT-OBNAIBOFSA-N
XLogP4.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one (CID 57390274) is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one is CCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DMIPTBOHLUSYCT-OBNAIBOFSA-N. The full InChI is InChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-14-18(22)17-15-25-20(24)21(17)19(23)16-12-10-11-13-16/h9,14,16-18,22H,2-8,10-13,15H2,1H3/b14-9+/t17-,18+/m0/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxyundec-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57390274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).