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

C22H26N4O — CID 15990242

IUPAC2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)CC2C)c1
InChIInChI=1S/C22H26N4O/c1-16-7-6-9-19(13-16)26-12-11-25(14-18(26)3)15-21-23-24-22(27-21)20-10-5-4-8-17(20)2/h4-10,13,18H,11-12,14-15H2,1-3H3
InChIKeyVBFHPVRCOYWBCF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.06
Rot. Bonds4

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

2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 15990242) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID15990242
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)CC2C)c1
InChIInChI=1S/C22H26N4O/c1-16-7-6-9-19(13-16)26-12-11-25(14-18(26)3)15-21-23-24-22(27-21)20-10-5-4-8-17(20)2/h4-10,13,18H,11-12,14-15H2,1-3H3
InChIKeyVBFHPVRCOYWBCF-UHFFFAOYSA-N
XLogP4.06
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 15990242) is 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(N2CCN(Cc3nnc(-c4ccccc4C)o3)CC2C)c1.
What is the InChIKey of 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is VBFHPVRCOYWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-7-6-9-19(13-16)26-12-11-25(14-18(26)3)15-21-23-24-22(27-21)20-10-5-4-8-17(20)2/h4-10,13,18H,11-12,14-15H2,1-3H3.
What are the key properties of 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 362.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 15990242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).