4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate

C15H24NO5- — CID 1252289

IUPAC4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate
SMILESCC(C)=CCC[C@@]1(C)OC(=O)N(CCCC(=O)[O-])[C@@]1(C)O
InChIInChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18)/p-1/t14-,15+/m1/s1
InChIKeyNSSGDDMZMSYFSP-CABCVRRESA-M
MW298.36 g/mol
LogP1.18
Rot. Bonds7

About 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate

4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate (PubChem CID 1252289) has the molecular formula C15H24NO5- and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate.

Molecular Properties

Compound Name4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate
PubChem CID1252289
Molecular FormulaC15H24NO5-
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate
SMILESCC(C)=CCC[C@@]1(C)OC(=O)N(CCCC(=O)[O-])[C@@]1(C)O
InChIInChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18)/p-1/t14-,15+/m1/s1
InChIKeyNSSGDDMZMSYFSP-CABCVRRESA-M
XLogP1.18
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate 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 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate?
The IUPAC name of 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate (CID 1252289) is 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate.
What is the SMILES notation for 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate?
The canonical SMILES for 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate is CC(C)=CCC[C@@]1(C)OC(=O)N(CCCC(=O)[O-])[C@@]1(C)O.
What is the InChIKey of 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate?
The InChIKey is NSSGDDMZMSYFSP-CABCVRRESA-M. The full InChI is InChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18)/p-1/t14-,15+/m1/s1.
What are the key properties of 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate?
4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate has a molecular weight of 298.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate is sourced from PubChem (CID 1252289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).