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

C20H23N3OS — CID 92560822

IUPAC2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1
InChIInChI=1S/C20H23N3OS/c1-14-4-3-5-16(12-14)13-23-9-6-17(7-10-23)19-21-22-20(24-19)18-15(2)8-11-25-18/h3-5,8,11-12,17H,6-7,9-10,13H2,1-2H3
InChIKeyCWMZHZIFRJCPSV-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.79
Rot. Bonds4

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

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 92560822) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID92560822
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1
InChIInChI=1S/C20H23N3OS/c1-14-4-3-5-16(12-14)13-23-9-6-17(7-10-23)19-21-22-20(24-19)18-15(2)8-11-25-18/h3-5,8,11-12,17H,6-7,9-10,13H2,1-2H3
InChIKeyCWMZHZIFRJCPSV-UHFFFAOYSA-N
XLogP4.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568358
2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 92560617
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117253
2-(4-fluorophenyl)-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 121073608
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116714
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116702
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 46956676
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 92560822) is 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1.
What is the InChIKey of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is CWMZHZIFRJCPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14-4-3-5-16(12-14)13-23-9-6-17(7-10-23)19-21-22-20(24-19)18-15(2)8-11-25-18/h3-5,8,11-12,17H,6-7,9-10,13H2,1-2H3.
What are the key properties of 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 353.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92560822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).