2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C22H26N4O2 — CID 8997340

IUPAC2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(C)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H26N4O2/c1-17-8-9-20(27-2)19(14-17)15-25-10-12-26(13-11-25)16-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyGEXQSAVATJZSOY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.37
Rot. Bonds6

About 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 8997340) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID8997340
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(C)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H26N4O2/c1-17-8-9-20(27-2)19(14-17)15-25-10-12-26(13-11-25)16-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyGEXQSAVATJZSOY-UHFFFAOYSA-N
XLogP3.37
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 55381888
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78826415
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(1,3-benzodioxol-5-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 46248991

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 8997340) is 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(C)cc1CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GEXQSAVATJZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-8-9-20(27-2)19(14-17)15-25-10-12-26(13-11-25)16-21-23-24-22(28-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 8997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).