5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C25H30N6O — CID 51962547

IUPAC5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H](C)N3CCN(CCn4c(C)nc5ccccc54)CC3)n2)cc1
InChIInChI=1S/C25H30N6O/c1-18-8-10-21(11-9-18)24-27-25(32-28-24)19(2)30-15-12-29(13-16-30)14-17-31-20(3)26-22-6-4-5-7-23(22)31/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1
InChIKeyBMMBIHGNFMQEIS-LJQANCHMSA-N
MW430.56 g/mol
LogP4.08
Rot. Bonds6

About 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 51962547) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID51962547
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H](C)N3CCN(CCn4c(C)nc5ccccc54)CC3)n2)cc1
InChIInChI=1S/C25H30N6O/c1-18-8-10-21(11-9-18)24-27-25(32-28-24)19(2)30-15-12-29(13-16-30)14-17-31-20(3)26-22-6-4-5-7-23(22)31/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1
InChIKeyBMMBIHGNFMQEIS-LJQANCHMSA-N
XLogP4.08
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
5-[(1S)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51952933
3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-phenylpropanamide
CID 46406200
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
3-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 55636685
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 46406315
2-[[4-[(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 92857458
2-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 92857459
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 51962547) is 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H](C)N3CCN(CCn4c(C)nc5ccccc54)CC3)n2)cc1.
What is the InChIKey of 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BMMBIHGNFMQEIS-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18-8-10-21(11-9-18)24-27-25(32-28-24)19(2)30-15-12-29(13-16-30)14-17-31-20(3)26-22-6-4-5-7-23(22)31/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 430.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 51962547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).