4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole

C17H33NO — CID 143317146

IUPAC4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
SMILESCCCCCCCCCCCC1=NC(C)(CC)CO1
InChIInChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-16-18-17(3,5-2)15-19-16/h4-15H2,1-3H3
InChIKeyNSBQMERWLIZELI-UHFFFAOYSA-N
MW267.46 g/mol
LogP5.50
Rot. Bonds11

About 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole

4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole (PubChem CID 143317146) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
PubChem CID143317146
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
SMILESCCCCCCCCCCCC1=NC(C)(CC)CO1
InChIInChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-16-18-17(3,5-2)15-19-16/h4-15H2,1-3H3
InChIKeyNSBQMERWLIZELI-UHFFFAOYSA-N
XLogP5.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 55.50
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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Related Compounds

[(4R)-2-[(E)-heptadec-8-enyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 99116631
2-dodecyl-4-methyl-4-(trifluoromethyl)-5H-1,3-oxazole
CID 67928410
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
2-[(9E,11Z)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712819
[2-[(E)-heptadec-2-enyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 6435898
[(4S)-4-ethyl-2-[(8Z,11E)-heptadeca-8,11-dienyl]-5H-1,3-oxazol-4-yl]methanol
CID 92529685
2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705204
4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
CID 6422236
[4-(docosanoyloxymethyl)-2-henicosyl-5H-1,3-oxazol-4-yl]methyl docosanoate
CID 53420392
[4-(dodecanoyloxymethyl)-2-undecyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
CID 70936310
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole?
The IUPAC name of 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole (CID 143317146) is 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole.
What is the SMILES notation for 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole?
The canonical SMILES for 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole is CCCCCCCCCCCC1=NC(C)(CC)CO1.
What is the InChIKey of 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole?
The InChIKey is NSBQMERWLIZELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-16-18-17(3,5-2)15-19-16/h4-15H2,1-3H3.
What are the key properties of 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole?
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole has a molecular weight of 267.46 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole is sourced from PubChem (CID 143317146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).