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

C14H22NO5- — CID 5033571

IUPAC3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCC(C)=CCCC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O
InChIInChI=1S/C14H23NO5/c1-10(2)6-5-8-13(3)14(4,19)15(12(18)20-13)9-7-11(16)17/h6,19H,5,7-9H2,1-4H3,(H,16,17)/p-1
InChIKeyOEMDMQKKQJDYFM-UHFFFAOYSA-M
MW284.33 g/mol
LogP0.79
Rot. Bonds6

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

3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate (PubChem CID 5033571) has the molecular formula C14H22NO5- and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Name3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
PubChem CID5033571
Molecular FormulaC14H22NO5-
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCC(C)=CCCC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O
InChIInChI=1S/C14H23NO5/c1-10(2)6-5-8-13(3)14(4,19)15(12(18)20-13)9-7-11(16)17/h6,19H,5,7-9H2,1-4H3,(H,16,17)/p-1
InChIKeyOEMDMQKKQJDYFM-UHFFFAOYSA-M
XLogP0.79
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoate
CID 1252289
2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 1384032
2-[(4R,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 1384038
4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid
CID 3385125
2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 1384037
(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 683470
(4R,5R)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
CID 7119710
(4R,5S)-3-[2-(1-adamantyloxy)ethyl]-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
CID 7119711
N-(2-fluorophenyl)-3-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
CID 7354305
(4R,5R)-3-acetyl-4,5-dimethyl-4-(4-methylpent-3-enyl)oxolan-2-one
CID 10879182
2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345
(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde
CID 764075

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate (CID 5033571) is 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate is CC(C)=CCCC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O.
What is the InChIKey of 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is OEMDMQKKQJDYFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO5/c1-10(2)6-5-8-13(3)14(4,19)15(12(18)20-13)9-7-11(16)17/h6,19H,5,7-9H2,1-4H3,(H,16,17)/p-1.
What are the key properties of 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 284.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 5033571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).