methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride

C17H22ClN3O4 — CID 120842254

IUPACmethyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(OCc2noc(C3(C)CCCCN3)n2)c1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-17(8-3-4-9-18-17)16-19-14(20-24-16)11-23-13-7-5-6-12(10-13)15(21)22-2;/h5-7,10,18H,3-4,8-9,11H2,1-2H3;1H
InChIKeyNMQCPLPLGSMOAI-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.85
Rot. Bonds5

About methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride

methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride (PubChem CID 120842254) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
PubChem CID120842254
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Namemethyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(OCc2noc(C3(C)CCCCN3)n2)c1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-17(8-3-4-9-18-17)16-19-14(20-24-16)11-23-13-7-5-6-12(10-13)15(21)22-2;/h5-7,10,18H,3-4,8-9,11H2,1-2H3;1H
InChIKeyNMQCPLPLGSMOAI-UHFFFAOYSA-N
XLogP2.85
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride with MolForge

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Related Compounds

methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291
methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842271
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834977
3-[(6-methoxy-3-pyridinyl)methyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597636
methyl 3-[[5-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 138009454
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzamide
CID 126792448
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893709
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride?
The IUPAC name of methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride (CID 120842254) is methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride.
What is the SMILES notation for methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride?
The canonical SMILES for methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride is COC(=O)c1cccc(OCc2noc(C3(C)CCCCN3)n2)c1.Cl.
What is the InChIKey of methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride?
The InChIKey is NMQCPLPLGSMOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-17(8-3-4-9-18-17)16-19-14(20-24-16)11-23-13-7-5-6-12(10-13)15(21)22-2;/h5-7,10,18H,3-4,8-9,11H2,1-2H3;1H.
What are the key properties of methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride?
methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride is sourced from PubChem (CID 120842254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).