3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole

C18H34N2O — CID 146431143

IUPAC3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCC)c1nc(C(C)(C)CC)no1
InChIInChI=1S/C18H34N2O/c1-7-10-12-14-18(6,13-11-8-2)16-19-15(20-21-16)17(4,5)9-3/h7-14H2,1-6H3
InChIKeyQOUQTTLWETVJMG-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.79
Rot. Bonds10

About 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole

3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole (PubChem CID 146431143) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
PubChem CID146431143
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
SMILESCCCCCC(C)(CCCC)c1nc(C(C)(C)CC)no1
InChIInChI=1S/C18H34N2O/c1-7-10-12-14-18(6,13-11-8-2)16-19-15(20-21-16)17(4,5)9-3/h7-14H2,1-6H3
InChIKeyQOUQTTLWETVJMG-UHFFFAOYSA-N
XLogP5.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.79
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

5-(6-methylundecan-6-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 175618648
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine
CID 63953465
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379588
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole (CID 146431143) is 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole is CCCCCC(C)(CCCC)c1nc(C(C)(C)CC)no1.
What is the InChIKey of 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole?
The InChIKey is QOUQTTLWETVJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-10-12-14-18(6,13-11-8-2)16-19-15(20-21-16)17(4,5)9-3/h7-14H2,1-6H3.
What are the key properties of 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole?
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole has a molecular weight of 294.48 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146431143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).