5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one

C17H25NO2 — CID 59580293

IUPAC5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(C)c2)C(=O)O1
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-10-16-13-18(17(19)20-16)12-15-9-7-8-14(2)11-15/h7-9,11,16H,3-6,10,12-13H2,1-2H3
InChIKeySUGFSUIVFXOWRK-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.29
Rot. Bonds7

About 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one

5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 59580293) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID59580293
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(C)c2)C(=O)O1
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-10-16-13-18(17(19)20-16)12-15-9-7-8-14(2)11-15/h7-9,11,16H,3-6,10,12-13H2,1-2H3
InChIKeySUGFSUIVFXOWRK-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one (CID 59580293) is 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one is CCCCCCC1CN(Cc2cccc(C)c2)C(=O)O1.
What is the InChIKey of 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is SUGFSUIVFXOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-5-6-10-16-13-18(17(19)20-16)12-15-9-7-8-14(2)11-15/h7-9,11,16H,3-6,10,12-13H2,1-2H3.
What are the key properties of 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one?
5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).