5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C20H26N4O2 — CID 133344398

IUPAC5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCN(C4CC5CCC4C5)CC3)n2)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-4-2-3-16(13-17)19-21-20(26-22-19)24-9-7-23(8-10-24)18-12-14-5-6-15(18)11-14/h2-4,13-15,18H,5-12H2,1H3
InChIKeyIUUQVQDATOFCOH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.06
Rot. Bonds4

About 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 133344398) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID133344398
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCN(C4CC5CCC4C5)CC3)n2)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-4-2-3-16(13-17)19-21-20(26-22-19)24-9-7-23(8-10-24)18-12-14-5-6-15(18)11-14/h2-4,13-15,18H,5-12H2,1H3
InChIKeyIUUQVQDATOFCOH-UHFFFAOYSA-N
XLogP3.06
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 75422616
N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 133330879
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(3-methoxyphenyl)phenyl]piperidine
CID 58772181
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 95974531
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-(3-methoxyphenyl)-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133446278
3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 99695591
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 133344398) is 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(N3CCN(C4CC5CCC4C5)CC3)n2)c1.
What is the InChIKey of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is IUUQVQDATOFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-17-4-2-3-16(13-17)19-21-20(26-22-19)24-9-7-23(8-10-24)18-12-14-5-6-15(18)11-14/h2-4,13-15,18H,5-12H2,1H3.
What are the key properties of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 354.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133344398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).