5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole

C9H14N6O — CID 136514600

IUPAC5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCCc1nc(Cn2nnnc2C)no1
InChIInChI=1S/C9H14N6O/c1-3-4-5-9-10-8(12-16-9)6-15-7(2)11-13-14-15/h3-6H2,1-2H3
InChIKeyLQDUMHGSTUMBBL-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.76
Rot. Bonds5

About 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole

5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 136514600) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID136514600
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCCc1nc(Cn2nnnc2C)no1
InChIInChI=1S/C9H14N6O/c1-3-4-5-9-10-8(12-16-9)6-15-7(2)11-13-14-15/h3-6H2,1-2H3
InChIKeyLQDUMHGSTUMBBL-UHFFFAOYSA-N
XLogP0.76
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Propyl-3-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53570785
3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766244
3-[[5-(Difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 132970561
3-[(5-Cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 136524536
5-Butyl-3-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53571968
5-Butyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 56794280
3-[(5-Cyclopentyltetrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 71879345
1-butyl-5-{[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl}-1H-1,2,3,4-tetrazole
CID 72149452
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622
5-Ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448721
5-Butyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47364545
1-[(5-Propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 47394253

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 136514600) is 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole is CCCCc1nc(Cn2nnnc2C)no1.
What is the InChIKey of 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LQDUMHGSTUMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-4-5-9-10-8(12-16-9)6-15-7(2)11-13-14-15/h3-6H2,1-2H3.
What are the key properties of 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole?
5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136514600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).