5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

C12H19N3O2 — CID 99727953

IUPAC5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CC[C@H](c2noc(COCC3CC3)n2)NC1
InChIInChI=1S/C12H19N3O2/c1-2-6-13-10(3-1)12-14-11(17-15-12)8-16-7-9-4-5-9/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyQWOBWJRCSLYYKK-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds5

About 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 99727953) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID99727953
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CC[C@H](c2noc(COCC3CC3)n2)NC1
InChIInChI=1S/C12H19N3O2/c1-2-6-13-10(3-1)12-14-11(17-15-12)8-16-7-9-4-5-9/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyQWOBWJRCSLYYKK-SNVBAGLBSA-N
XLogP1.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077336
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (CID 99727953) is 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is C1CC[C@H](c2noc(COCC3CC3)n2)NC1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QWOBWJRCSLYYKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-6-13-10(3-1)12-14-11(17-15-12)8-16-7-9-4-5-9/h9-10,13H,1-8H2/t10-/m1/s1.
What are the key properties of 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99727953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).