3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole

C16H20N2O2 — CID 71867470

IUPAC3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1ccc(C2CCN(Cc3ccon3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-4-2-13(3-5-16)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyOTFGMHUZXWZROS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.06
Rot. Bonds4

About 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole

3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 71867470) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID71867470
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1ccc(C2CCN(Cc3ccon3)CC2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-4-2-13(3-5-16)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyOTFGMHUZXWZROS-UHFFFAOYSA-N
XLogP3.06
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 96925768
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 75449607
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
N-(2-methoxyphenyl)-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 71973092
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 75375213
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methanimine
CID 129199484
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
CID 119927525
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 54024148
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole (CID 71867470) is 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole is COc1ccc(C2CCN(Cc3ccon3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is OTFGMHUZXWZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-16-4-2-13(3-5-16)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h2-5,8,11,14H,6-7,9-10,12H2,1H3.
What are the key properties of 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole?
3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 272.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71867470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).