5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

C13H21N3O2 — CID 114241654

IUPAC5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCC1COCCC1c1nc(C2CCCNC2)no1
InChIInChI=1S/C13H21N3O2/c1-9-8-17-6-4-11(9)13-15-12(16-18-13)10-3-2-5-14-7-10/h9-11,14H,2-8H2,1H3
InChIKeyBQGVCUBXEPBPFZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds2

About 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 114241654) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID114241654
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCC1COCCC1c1nc(C2CCCNC2)no1
InChIInChI=1S/C13H21N3O2/c1-9-8-17-6-4-11(9)13-15-12(16-18-13)10-3-2-5-14-7-10/h9-11,14H,2-8H2,1H3
InChIKeyBQGVCUBXEPBPFZ-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 114241654) is 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is CC1COCCC1c1nc(C2CCCNC2)no1.
What is the InChIKey of 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is BQGVCUBXEPBPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-8-17-6-4-11(9)13-15-12(16-18-13)10-3-2-5-14-7-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 114241654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).