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

C16H21N3O2 — CID 103898257

IUPAC4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESCc1cccc(-c2nnc(CN3CCC(C)C(O)C3)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-13(8-11)16-18-17-15(21-16)10-19-7-6-12(2)14(20)9-19/h3-5,8,12,14,20H,6-7,9-10H2,1-2H3
InChIKeyVVLLJIPYKMUQSD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds3

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

4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 103898257) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
PubChem CID103898257
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESCc1cccc(-c2nnc(CN3CCC(C)C(O)C3)o2)c1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-13(8-11)16-18-17-15(21-16)10-19-7-6-12(2)14(20)9-19/h3-5,8,12,14,20H,6-7,9-10H2,1-2H3
InChIKeyVVLLJIPYKMUQSD-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
(3R)-1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111334084
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-(3-methoxyphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110652797
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78826415
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (CID 103898257) is 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is Cc1cccc(-c2nnc(CN3CCC(C)C(O)C3)o2)c1.
What is the InChIKey of 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is VVLLJIPYKMUQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-3-5-13(8-11)16-18-17-15(21-16)10-19-7-6-12(2)14(20)9-19/h3-5,8,12,14,20H,6-7,9-10H2,1-2H3.
What are the key properties of 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 287.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 103898257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).