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

C18H25N3O — CID 51074586

IUPAC2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(CCC2CCN(Cc3nnc(C)o3)CC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-3-5-16(6-4-14)7-8-17-9-11-21(12-10-17)13-18-20-19-15(2)22-18/h3-6,17H,7-13H2,1-2H3
InChIKeyDGHDKGGKTDYWPE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.53
Rot. Bonds5

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

2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 51074586) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID51074586
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(CCC2CCN(Cc3nnc(C)o3)CC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-3-5-16(6-4-14)7-8-17-9-11-21(12-10-17)13-18-20-19-15(2)22-18/h3-6,17H,7-13H2,1-2H3
InChIKeyDGHDKGGKTDYWPE-UHFFFAOYSA-N
XLogP3.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110713119
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
2-methyl-5-[[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 154829483
N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975649
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 171335666
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 51074586) is 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1ccc(CCC2CCN(Cc3nnc(C)o3)CC2)cc1.
What is the InChIKey of 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is DGHDKGGKTDYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-3-5-16(6-4-14)7-8-17-9-11-21(12-10-17)13-18-20-19-15(2)22-18/h3-6,17H,7-13H2,1-2H3.
What are the key properties of 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 299.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51074586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).