3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C12H19N3O2 — CID 102954079

IUPAC3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1CCNCC1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O2/c1-8-4-5-13-6-10(8)16-7-11-14-12(15-17-11)9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyDDTMWDGYDLHLEL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds4

About 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102954079) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102954079
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1CCNCC1OCc1nc(C2CC2)no1
InChIInChI=1S/C12H19N3O2/c1-8-4-5-13-6-10(8)16-7-11-14-12(15-17-11)9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyDDTMWDGYDLHLEL-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 86820513
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102954079) is 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CC1CCNCC1OCc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is DDTMWDGYDLHLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-5-13-6-10(8)16-7-11-14-12(15-17-11)9-2-3-9/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102954079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).