5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C15H17N3O2 — CID 75422616

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CC4CCC3C4)n2)c1
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-3-11(8-13)14-16-15(20-17-14)18-9-10-5-6-12(18)7-10/h2-4,8,10,12H,5-7,9H2,1H3
InChIKeyMGWHMBGWKFURRC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds3

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 75422616) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID75422616
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CC4CCC3C4)n2)c1
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-3-11(8-13)14-16-15(20-17-14)18-9-10-5-6-12(18)7-10/h2-4,8,10,12H,5-7,9H2,1H3
InChIKeyMGWHMBGWKFURRC-UHFFFAOYSA-N
XLogP2.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398
3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 99695591
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 133330879
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 75422616) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(N3CC4CCC3C4)n2)c1.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MGWHMBGWKFURRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-4-2-3-11(8-13)14-16-15(20-17-14)18-9-10-5-6-12(18)7-10/h2-4,8,10,12H,5-7,9H2,1H3.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75422616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).