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

C20H21ClN4O — CID 18088347

IUPAC2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H21ClN4O/c1-15-6-2-5-9-18(15)25-12-10-24(11-13-25)14-19-22-23-20(26-19)16-7-3-4-8-17(16)21/h2-9H,10-14H2,1H3
InChIKeyRTTAEJHDSKQDKQ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.02
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 18088347) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID18088347
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H21ClN4O/c1-15-6-2-5-9-18(15)25-12-10-24(11-13-25)14-19-22-23-20(26-19)16-7-3-4-8-17(16)21/h2-9H,10-14H2,1H3
InChIKeyRTTAEJHDSKQDKQ-UHFFFAOYSA-N
XLogP4.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 18088347) is 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is RTTAEJHDSKQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-15-6-2-5-9-18(15)25-12-10-24(11-13-25)14-19-22-23-20(26-19)16-7-3-4-8-17(16)21/h2-9H,10-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 368.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18088347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).