5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole

C15H28N2O — CID 139524801

IUPAC5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
SMILESCCCCCCC(C)(CCCCC)c1ncno1
InChIInChI=1S/C15H28N2O/c1-4-6-8-10-12-15(3,11-9-7-5-2)14-16-13-17-18-14/h13H,4-12H2,1-3H3
InChIKeyVLZPMRWRWMQNFG-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.88
Rot. Bonds10

About 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole

5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole (PubChem CID 139524801) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
PubChem CID139524801
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
SMILESCCCCCCC(C)(CCCCC)c1ncno1
InChIInChI=1S/C15H28N2O/c1-4-6-8-10-12-15(3,11-9-7-5-2)14-16-13-17-18-14/h13H,4-12H2,1-3H3
InChIKeyVLZPMRWRWMQNFG-UHFFFAOYSA-N
XLogP4.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 175618648
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
4-(5-methylundecan-5-yl)pyridine
CID 146178387

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole (CID 139524801) is 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole is CCCCCCC(C)(CCCCC)c1ncno1.
What is the InChIKey of 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole?
The InChIKey is VLZPMRWRWMQNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-8-10-12-15(3,11-9-7-5-2)14-16-13-17-18-14/h13H,4-12H2,1-3H3.
What are the key properties of 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole?
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole has a molecular weight of 252.40 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139524801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).