3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole

C9H14BrN3O — CID 115077953

IUPAC3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCN1CCCCC1c1nc(Br)no1
InChIInChI=1S/C9H14BrN3O/c1-2-13-6-4-3-5-7(13)8-11-9(10)12-14-8/h7H,2-6H2,1H3
InChIKeyADMQQNRGICIRLQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.38
Rot. Bonds2

About 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole

3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 115077953) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID115077953
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCN1CCCCC1c1nc(Br)no1
InChIInChI=1S/C9H14BrN3O/c1-2-13-6-4-3-5-7(13)8-11-9(10)12-14-8/h7H,2-6H2,1H3
InChIKeyADMQQNRGICIRLQ-UHFFFAOYSA-N
XLogP2.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
5-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115077815
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
CID 115077951
5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115079772
3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 77091149
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 115077953) is 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCN1CCCCC1c1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ADMQQNRGICIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-2-13-6-4-3-5-7(13)8-11-9(10)12-14-8/h7H,2-6H2,1H3.
What are the key properties of 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 260.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115077953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).