2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole

C13H21N3O — CID 115040962

IUPAC2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCC1(c2nnc(CC3CCCCN3)o2)CCC1
InChIInChI=1S/C13H21N3O/c1-13(6-4-7-13)12-16-15-11(17-12)9-10-5-2-3-8-14-10/h10,14H,2-9H2,1H3
InChIKeyIOYVJYXMGRJWME-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole

2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 115040962) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID115040962
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCC1(c2nnc(CC3CCCCN3)o2)CCC1
InChIInChI=1S/C13H21N3O/c1-13(6-4-7-13)12-16-15-11(17-12)9-10-5-2-3-8-14-10/h10,14H,2-9H2,1H3
InChIKeyIOYVJYXMGRJWME-UHFFFAOYSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115013269
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 105429886
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
CID 125493206
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2-ethyl-5-(piperidin-2-ylmethoxymethyl)-1,3,4-oxadiazole
CID 62341250
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
3-[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 106828244
1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106826694

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (CID 115040962) is 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is CC1(c2nnc(CC3CCCCN3)o2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is IOYVJYXMGRJWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(6-4-7-13)12-16-15-11(17-12)9-10-5-2-3-8-14-10/h10,14H,2-9H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 115040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).