1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine

C21H23ClN4O — CID 56829243

IUPAC1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H23ClN4O/c1-15-4-2-3-5-19(15)23-18-10-12-26(13-11-18)14-20-24-25-21(27-20)16-6-8-17(22)9-7-16/h2-9,18,23H,10-14H2,1H3
InChIKeySGLSBFLEUCRPCI-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.77
Rot. Bonds5

About 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine

1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine (PubChem CID 56829243) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine
PubChem CID56829243
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine
SMILESCc1ccccc1NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H23ClN4O/c1-15-4-2-3-5-19(15)23-18-10-12-26(13-11-18)14-20-24-25-21(27-20)16-6-8-17(22)9-7-16/h2-9,18,23H,10-14H2,1H3
InChIKeySGLSBFLEUCRPCI-UHFFFAOYSA-N
XLogP4.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine (CID 56829243) is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine is Cc1ccccc1NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine?
The InChIKey is SGLSBFLEUCRPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-15-4-2-3-5-19(15)23-18-10-12-26(13-11-18)14-20-24-25-21(27-20)16-6-8-17(22)9-7-16/h2-9,18,23H,10-14H2,1H3.
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine?
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine has a molecular weight of 382.90 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 56829243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).