2-(5-methylundecan-5-yl)-1,3-oxazole

C15H27NO — CID 146378601

IUPAC2-(5-methylundecan-5-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCC)c1ncco1
InChIInChI=1S/C15H27NO/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h12-13H,4-11H2,1-3H3
InChIKeyYJBUIIHGISSQJS-UHFFFAOYSA-N
MW237.39 g/mol
LogP5.09
Rot. Bonds9

About 2-(5-methylundecan-5-yl)-1,3-oxazole

2-(5-methylundecan-5-yl)-1,3-oxazole (PubChem CID 146378601) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(5-methylundecan-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-methylundecan-5-yl)-1,3-oxazole
PubChem CID146378601
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(5-methylundecan-5-yl)-1,3-oxazole
SMILESCCCCCCC(C)(CCCC)c1ncco1
InChIInChI=1S/C15H27NO/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h12-13H,4-11H2,1-3H3
InChIKeyYJBUIIHGISSQJS-UHFFFAOYSA-N
XLogP5.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.39
LogP ≤ 55.09
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-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
decane;2-methyl-1,3-oxazole
CID 143643787
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
CID 139524806
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylundecan-5-yl)-1,3-oxazole?
The IUPAC name of 2-(5-methylundecan-5-yl)-1,3-oxazole (CID 146378601) is 2-(5-methylundecan-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(5-methylundecan-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(5-methylundecan-5-yl)-1,3-oxazole is CCCCCCC(C)(CCCC)c1ncco1.
What is the InChIKey of 2-(5-methylundecan-5-yl)-1,3-oxazole?
The InChIKey is YJBUIIHGISSQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(5-methylundecan-5-yl)-1,3-oxazole?
2-(5-methylundecan-5-yl)-1,3-oxazole has a molecular weight of 237.39 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylundecan-5-yl)-1,3-oxazole is sourced from PubChem (CID 146378601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).