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

C18H25N3O2 — CID 60506197

IUPAC4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
SMILESCC(C)Cc1nc(CN2CCC(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-13(2)11-18-19-17(20-23-18)12-21-9-7-15(8-10-21)14-3-5-16(22)6-4-14/h3-6,13,15,22H,7-12H2,1-2H3
InChIKeyRSKLDJXTXMYUQM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.35
Rot. Bonds5

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

4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol (PubChem CID 60506197) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
PubChem CID60506197
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
SMILESCC(C)Cc1nc(CN2CCC(c3ccc(O)cc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-13(2)11-18-19-17(20-23-18)12-21-9-7-15(8-10-21)14-3-5-16(22)6-4-14/h3-6,13,15,22H,7-12H2,1-2H3
InChIKeyRSKLDJXTXMYUQM-UHFFFAOYSA-N
XLogP3.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
CID 60506257
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
3-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735006
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687
1-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]ethanamine
CID 81491345
(1S,5R)-7-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157012572
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55702249
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol (CID 60506197) is 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol is CC(C)Cc1nc(CN2CCC(c3ccc(O)cc3)CC2)no1.
What is the InChIKey of 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol?
The InChIKey is RSKLDJXTXMYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)11-18-19-17(20-23-18)12-21-9-7-15(8-10-21)14-3-5-16(22)6-4-14/h3-6,13,15,22H,7-12H2,1-2H3.
What are the key properties of 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol?
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol has a molecular weight of 315.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 60506197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).