3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

C18H25NO3 — CID 4036205

IUPAC3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCCC1(C)OC(=O)N(Cc2ccccc2)C1(C)O
InChIInChI=1S/C18H25NO3/c1-14(2)9-8-12-17(3)18(4,21)19(16(20)22-17)13-15-10-6-5-7-11-15/h5-7,9-11,21H,8,12-13H2,1-4H3
InChIKeyFKRFVQBBBINMFD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.85
Rot. Bonds5

About 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (PubChem CID 4036205) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
PubChem CID4036205
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCCC1(C)OC(=O)N(Cc2ccccc2)C1(C)O
InChIInChI=1S/C18H25NO3/c1-14(2)9-8-12-17(3)18(4,21)19(16(20)22-17)13-15-10-6-5-7-11-15/h5-7,9-11,21H,8,12-13H2,1-4H3
InChIKeyFKRFVQBBBINMFD-UHFFFAOYSA-N
XLogP3.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
4-Hydroxy-3,4,5-trimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 3238221
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-
CID 3077292
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-3-(phenylmethyl)-, monohydrochloride
CID 3077293
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-3,4-dimethyl-
CID 3077295
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-3-(1-methylethyl)-
CID 3077303
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-butyl-8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-
CID 3077306
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-hydroxy-4-methyl-3-propyl-, monohydrochloride
CID 3077307

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (CID 4036205) is 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is CC(C)=CCCC1(C)OC(=O)N(Cc2ccccc2)C1(C)O.
What is the InChIKey of 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The InChIKey is FKRFVQBBBINMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(2)9-8-12-17(3)18(4,21)19(16(20)22-17)13-15-10-6-5-7-11-15/h5-7,9-11,21H,8,12-13H2,1-4H3.
What are the key properties of 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 4036205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).