5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol

C20H39NO2 — CID 155688253

IUPAC5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol
SMILESCCCCCCCCCCCCCCC(C)(C)C1=CNC(O)O1
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(2,3)18-17-21-19(22)23-18/h17,19,21-22H,4-16H2,1-3H3
InChIKeyZHTXMHUGZYMLAZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.84
Rot. Bonds14

About 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol

5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol (PubChem CID 155688253) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol.

Molecular Properties

Compound Name5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol
PubChem CID155688253
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol
SMILESCCCCCCCCCCCCCCC(C)(C)C1=CNC(O)O1
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(2,3)18-17-21-19(22)23-18/h17,19,21-22H,4-16H2,1-3H3
InChIKeyZHTXMHUGZYMLAZ-UHFFFAOYSA-N
XLogP5.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(2-methyloctan-2-yl)-1H-pyrazole
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13-methylheptacosan-13-ol
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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol?
The IUPAC name of 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol (CID 155688253) is 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol.
What is the SMILES notation for 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol?
The canonical SMILES for 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol is CCCCCCCCCCCCCCC(C)(C)C1=CNC(O)O1.
What is the InChIKey of 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol?
The InChIKey is ZHTXMHUGZYMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(2,3)18-17-21-19(22)23-18/h17,19,21-22H,4-16H2,1-3H3.
What are the key properties of 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol?
5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol has a molecular weight of 325.54 g/mol, XLogP of 5.84, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol is sourced from PubChem (CID 155688253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).