5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride

C16H22Cl2N2O2 — CID 75485547

IUPAC5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride
SMILESCOc1cccc(Cc2cnc(C3CCCCN3)o2)c1.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-19-13-6-4-5-12(9-13)10-14-11-18-16(20-14)15-7-2-3-8-17-15;;/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3;2*1H
InChIKeyNWLYIHZALHWTDY-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.93
Rot. Bonds4

About 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride

5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride (PubChem CID 75485547) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride
PubChem CID75485547
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride
SMILESCOc1cccc(Cc2cnc(C3CCCCN3)o2)c1.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-19-13-6-4-5-12(9-13)10-14-11-18-16(20-14)15-7-2-3-8-17-15;;/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3;2*1H
InChIKeyNWLYIHZALHWTDY-UHFFFAOYSA-N
XLogP3.93
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 82665656
2-(3-methoxyphenyl)-1-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125022669
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
1-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 110120976
2-ethoxy-1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125006300
[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999070
[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124999069
N-[2-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110120562
1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110121360
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124957976
2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole
CID 110099284

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride (CID 75485547) is 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride is COc1cccc(Cc2cnc(C3CCCCN3)o2)c1.Cl.Cl.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride?
The InChIKey is NWLYIHZALHWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.2ClH/c1-19-13-6-4-5-12(9-13)10-14-11-18-16(20-14)15-7-2-3-8-17-15;;/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3;2*1H.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride?
5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 75485547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).