5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C17H24N4O2 — CID 120753387

IUPAC5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCNCC2c2ccccc2OC)n1
InChIInChI=1S/C17H24N4O2/c1-3-6-16-19-17(23-20-16)12-21-10-9-18-11-14(21)13-7-4-5-8-15(13)22-2/h4-5,7-8,14,18H,3,6,9-12H2,1-2H3
InChIKeyDMGUWAARZCAZOR-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.18
Rot. Bonds6

About 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 120753387) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID120753387
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCNCC2c2ccccc2OC)n1
InChIInChI=1S/C17H24N4O2/c1-3-6-16-19-17(23-20-16)12-21-10-9-18-11-14(21)13-7-4-5-8-15(13)22-2/h4-5,7-8,14,18H,3,6,9-12H2,1-2H3
InChIKeyDMGUWAARZCAZOR-UHFFFAOYSA-N
XLogP2.18
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenoxy)methyl]-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120753436
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120733903
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120753588
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120754170
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 120753387) is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCNCC2c2ccccc2OC)n1.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is DMGUWAARZCAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-6-16-19-17(23-20-16)12-21-10-9-18-11-14(21)13-7-4-5-8-15(13)22-2/h4-5,7-8,14,18H,3,6,9-12H2,1-2H3.
What are the key properties of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 120753387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).