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

C23H27ClN4O4 — CID 36840734

IUPAC2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c(OC)c1OC
InChIInChI=1S/C23H27ClN4O4/c1-29-19-9-8-16(21(30-2)22(19)31-3)14-27-10-12-28(13-11-27)15-20-25-26-23(32-20)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3
InChIKeyUCYRWVIFIXESHP-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.73
Rot. Bonds8

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

2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 36840734) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID36840734
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c(OC)c1OC
InChIInChI=1S/C23H27ClN4O4/c1-29-19-9-8-16(21(30-2)22(19)31-3)14-27-10-12-28(13-11-27)15-20-25-26-23(32-20)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3
InChIKeyUCYRWVIFIXESHP-UHFFFAOYSA-N
XLogP3.73
TPSA73.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8997340
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 36840734) is 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is COc1ccc(CN2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c(OC)c1OC.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is UCYRWVIFIXESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-29-19-9-8-16(21(30-2)22(19)31-3)14-27-10-12-28(13-11-27)15-20-25-26-23(32-20)17-6-4-5-7-18(17)24/h4-9H,10-15H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 458.95 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 36840734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).