5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

C14H18N4O — CID 82714094

IUPAC5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESC[C@@H]1CNCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O/c1-11-9-15-7-8-18(11)10-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m1/s1
InChIKeyGBMIFZIWQQJJFF-LLVKDONJSA-N
MW258.32 g/mol
LogP1.53
Rot. Bonds3

About 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 82714094) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID82714094
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESC[C@@H]1CNCCN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O/c1-11-9-15-7-8-18(11)10-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m1/s1
InChIKeyGBMIFZIWQQJJFF-LLVKDONJSA-N
XLogP1.53
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
3-ethyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82705500
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120753588
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 82714094) is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is C[C@@H]1CNCCN1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GBMIFZIWQQJJFF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-15-7-8-18(11)10-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 82714094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).