5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole

C18H30N4O2 — CID 66869478

IUPAC5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole
SMILESCc1nc(CCCCCCCCCCCCc2noc(C)n2)no1
InChIInChI=1S/C18H30N4O2/c1-15-19-17(21-23-15)13-11-9-7-5-3-4-6-8-10-12-14-18-20-16(2)24-22-18/h3-14H2,1-2H3
InChIKeyOKPIAFGZJRILRR-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.76
Rot. Bonds13

About 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole

5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole (PubChem CID 66869478) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole
PubChem CID66869478
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole
SMILESCc1nc(CCCCCCCCCCCCc2noc(C)n2)no1
InChIInChI=1S/C18H30N4O2/c1-15-19-17(21-23-15)13-11-9-7-5-3-4-6-8-10-12-14-18-20-16(2)24-22-18/h3-14H2,1-2H3
InChIKeyOKPIAFGZJRILRR-UHFFFAOYSA-N
XLogP4.76
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3'-(Dodecane-1,12-diyl)di(1,2,4-oxadiazole-5-carboxamide)
CID 44571122
3,3'-(Dodecane-1,12-diyl)di(1,2,4-oxadiazole-5-carbonitrile)
CID 44571123
5-Methyl-3-octyl-1,2,4-oxadiazole
CID 13676613
3,3'-(Dodecane-1,12-diyl)bis[5-(trifluoromethyl)-1,2,4-oxadiazole]
CID 71378290
5-(Trifluoromethyl)-3-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]dodecan-2-yl]-1,2,4-oxadiazole
CID 90933312
3,3'-(Dodecane-1,12-diyl)bis[5-(difluoromethyl)-1,2,4-oxadiazole]
CID 71378292
5-Methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazole
CID 68230696
5-Ethyl-3-pentyl-1,2,4-oxadiazole
CID 70566927
3,3'-(Dodecane-1,12-diyl)bis[5-(trichloromethyl)-1,2,4-oxadiazole]
CID 71378289
5-Methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)dodecan-2-yl]-1,2,4-oxadiazole
CID 90831567
3-[2-(5-Cyano-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole-5-carbonitrile
CID 91426443
CID 142469483
CID 142469483

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole (CID 66869478) is 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole is Cc1nc(CCCCCCCCCCCCc2noc(C)n2)no1.
What is the InChIKey of 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole?
The InChIKey is OKPIAFGZJRILRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-19-17(21-23-15)13-11-9-7-5-3-4-6-8-10-12-14-18-20-16(2)24-22-18/h3-14H2,1-2H3.
What are the key properties of 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole?
5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole has a molecular weight of 334.46 g/mol, XLogP of 4.76, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[12-(5-methyl-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66869478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).