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

C21H29N3O3 — CID 127418614

IUPAC2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCC(OCC4CCCCO4)CC3)o2)cc1
InChIInChI=1S/C21H29N3O3/c1-16-5-7-17(8-6-16)21-23-22-20(27-21)14-24-11-9-18(10-12-24)26-15-19-4-2-3-13-25-19/h5-8,18-19H,2-4,9-15H2,1H3
InChIKeyWEYNUSHXDLKXPV-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.60
Rot. Bonds6

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

2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 127418614) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID127418614
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CN3CCC(OCC4CCCCO4)CC3)o2)cc1
InChIInChI=1S/C21H29N3O3/c1-16-5-7-17(8-6-16)21-23-22-20(27-21)14-24-11-9-18(10-12-24)26-15-19-4-2-3-13-25-19/h5-8,18-19H,2-4,9-15H2,1H3
InChIKeyWEYNUSHXDLKXPV-UHFFFAOYSA-N
XLogP3.60
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492
5-methyl-4-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550700
N-ethyl-N'-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450326
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71859833
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 127418614) is 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CN3CCC(OCC4CCCCO4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is WEYNUSHXDLKXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-5-7-17(8-6-16)21-23-22-20(27-21)14-24-11-9-18(10-12-24)26-15-19-4-2-3-13-25-19/h5-8,18-19H,2-4,9-15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 371.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 127418614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).