5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C13H21N3O2 — CID 97438471

IUPAC5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCN1CCC(C)(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(4-6-16(2)7-5-13)12-14-11(15-18-12)10-3-8-17-9-10/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyCMJKQLLVAXQBSZ-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds2

About 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97438471) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97438471
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCN1CCC(C)(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(4-6-16(2)7-5-13)12-14-11(15-18-12)10-3-8-17-9-10/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyCMJKQLLVAXQBSZ-SNVBAGLBSA-N
XLogP1.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97438471) is 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is CN1CCC(C)(c2nc([C@@H]3CCOC3)no2)CC1.
What is the InChIKey of 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is CMJKQLLVAXQBSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(4-6-16(2)7-5-13)12-14-11(15-18-12)10-3-8-17-9-10/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97438471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).