5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C13H19N7O — CID 87023145

IUPAC5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3nnnn3C3CC3)C2)n1
InChIInChI=1S/C13H19N7O/c1-9-14-13(21-16-9)10-3-2-6-19(7-10)8-12-15-17-18-20(12)11-4-5-11/h10-11H,2-8H2,1H3
InChIKeyMJWYXSQPKIVYNE-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.08
Rot. Bonds4

About 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 87023145) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID87023145
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3nnnn3C3CC3)C2)n1
InChIInChI=1S/C13H19N7O/c1-9-14-13(21-16-9)10-3-2-6-19(7-10)8-12-15-17-18-20(12)11-4-5-11/h10-11H,2-8H2,1H3
InChIKeyMJWYXSQPKIVYNE-UHFFFAOYSA-N
XLogP1.08
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 126766182
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 97074217
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 124623612
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97253149
3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 138052921

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 87023145) is 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCN(Cc3nnnn3C3CC3)C2)n1.
What is the InChIKey of 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MJWYXSQPKIVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-14-13(21-16-9)10-3-2-6-19(7-10)8-12-15-17-18-20(12)11-4-5-11/h10-11H,2-8H2,1H3.
What are the key properties of 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 87023145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).