5-(2-butyloctyl)-1,2-oxazole

C15H27NO — CID 134561279

IUPAC5-(2-butyloctyl)-1,2-oxazole
SMILESCCCCCCC(CCCC)Cc1ccno1
InChIInChI=1S/C15H27NO/c1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-16-17-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDJFCEJXEJNLMHL-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.99
Rot. Bonds10

About 5-(2-butyloctyl)-1,2-oxazole

5-(2-butyloctyl)-1,2-oxazole (PubChem CID 134561279) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(2-butyloctyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-butyloctyl)-1,2-oxazole
PubChem CID134561279
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-(2-butyloctyl)-1,2-oxazole
SMILESCCCCCCC(CCCC)Cc1ccno1
InChIInChI=1S/C15H27NO/c1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-16-17-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDJFCEJXEJNLMHL-UHFFFAOYSA-N
XLogP4.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.99
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

5-tridecan-7-yl-1,2-oxazole
CID 129119841
5-(2-pentyloctyl)-1H-pyrazole
CID 155244347
2-(2-butyloctyl)thiophene
CID 66609412
6-butylhenicosane
CID 91802566
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
3-(2-hexyloctyl)pyridine
CID 167277838
4-(2-butyltetradecyl)phenol
CID 70630098
3-(2-hexyldecyl)thiophene
CID 67456553
methyl (2S)-2-(1,2-oxazol-5-yl)octanoate
CID 7081601
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyloctyl)-1,2-oxazole?
The IUPAC name of 5-(2-butyloctyl)-1,2-oxazole (CID 134561279) is 5-(2-butyloctyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-butyloctyl)-1,2-oxazole?
The canonical SMILES for 5-(2-butyloctyl)-1,2-oxazole is CCCCCCC(CCCC)Cc1ccno1.
What is the InChIKey of 5-(2-butyloctyl)-1,2-oxazole?
The InChIKey is DJFCEJXEJNLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-16-17-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 5-(2-butyloctyl)-1,2-oxazole?
5-(2-butyloctyl)-1,2-oxazole has a molecular weight of 237.39 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyloctyl)-1,2-oxazole is sourced from PubChem (CID 134561279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).