[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone

C18H25NO2 — CID 2839830

IUPAC[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone
SMILESCC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)10-11-18(3,4)17-19(12-13-21-17)16(20)15-8-6-5-7-9-15/h5-10,17H,11-13H2,1-4H3
InChIKeyGAPMSFMGNRJMCZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.87
Rot. Bonds4

About [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone

[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone (PubChem CID 2839830) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone
PubChem CID2839830
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone
SMILESCC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)10-11-18(3,4)17-19(12-13-21-17)16(20)15-8-6-5-7-9-15/h5-10,17H,11-13H2,1-4H3
InChIKeyGAPMSFMGNRJMCZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone?
The IUPAC name of [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone (CID 2839830) is [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone?
The canonical SMILES for [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone is CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone?
The InChIKey is GAPMSFMGNRJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)10-11-18(3,4)17-19(12-13-21-17)16(20)15-8-6-5-7-9-15/h5-10,17H,11-13H2,1-4H3.
What are the key properties of [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone?
[2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone has a molecular weight of 287.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 2839830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).