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

C18H24N6O — CID 95273332

IUPAC3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(Cc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C18H24N6O/c1-13(18-19-14(2)21-25-18)24-10-8-23(9-11-24)12-17-20-15-6-4-5-7-16(15)22(17)3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyPJLBCOACAQPIPX-CYBMUJFWSA-N
MW340.43 g/mol
LogP2.14
Rot. Bonds4

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

3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95273332) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95273332
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(Cc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C18H24N6O/c1-13(18-19-14(2)21-25-18)24-10-8-23(9-11-24)12-17-20-15-6-4-5-7-16(15)22(17)3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyPJLBCOACAQPIPX-CYBMUJFWSA-N
XLogP2.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
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1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55574041
3-methyl-5-[(1R)-1-[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95280155
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
5-[(1R)-1-[4-[2-(2-methylbenzimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51962547
5-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95159071
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95273332) is 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCN(Cc3nc4ccccc4n3C)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is PJLBCOACAQPIPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(18-19-14(2)21-25-18)24-10-8-23(9-11-24)12-17-20-15-6-4-5-7-16(15)22(17)3/h4-7,13H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 340.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95273332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).