4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol

C19H27N3O2 — CID 50985036

IUPAC4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCc1ccc(O)c(CN2CCCC(c3nc(CC(C)C)no3)C2)c1
InChIInChI=1S/C19H27N3O2/c1-13(2)9-18-20-19(24-21-18)15-5-4-8-22(11-15)12-16-10-14(3)6-7-17(16)23/h6-7,10,13,15,23H,4-5,8-9,11-12H2,1-3H3
InChIKeyIIWJLXJGTOGXNR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.66
Rot. Bonds5

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

4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol (PubChem CID 50985036) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol
PubChem CID50985036
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCc1ccc(O)c(CN2CCCC(c3nc(CC(C)C)no3)C2)c1
InChIInChI=1S/C19H27N3O2/c1-13(2)9-18-20-19(24-21-18)15-5-4-8-22(11-15)12-16-10-14(3)6-7-17(16)23/h6-7,10,13,15,23H,4-5,8-9,11-12H2,1-3H3
InChIKeyIIWJLXJGTOGXNR-UHFFFAOYSA-N
XLogP3.66
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,6-Di-tert-butyl-4-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenol
CID 135527032
4-[3-(1-Methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 135567363
1-{3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-hexan-1-one
CID 3226033
3-[5-(1-Azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 14810892
4-[5-(1-Azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136109144
2-[5-(1-Azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136109145
4,4,4-Trifluoro-1-[4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]butan-1-one
CID 136042303
Phenol, m-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-
CID 11971159
Phenol, p-(5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)-
CID 135755729
5-[[Ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 46990423
2-({Ethyl[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino}methyl)-6-fluorophenol
CID 50975987
[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 53591162

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol (CID 50985036) is 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol is Cc1ccc(O)c(CN2CCCC(c3nc(CC(C)C)no3)C2)c1.
What is the InChIKey of 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is IIWJLXJGTOGXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)9-18-20-19(24-21-18)15-5-4-8-22(11-15)12-16-10-14(3)6-7-17(16)23/h6-7,10,13,15,23H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol?
4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 50985036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).