methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

C19H21N5O4 — CID 120842283

IUPACmethyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)c1
InChIInChI=1S/C19H21N5O4/c1-26-19(25)13-4-2-6-15(10-13)27-12-17-21-18(28-23-17)16-7-9-24(22-16)14-5-3-8-20-11-14/h2,4,6-7,9-10,14,20H,3,5,8,11-12H2,1H3
InChIKeySYDLRRUKXCBKCD-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.22
Rot. Bonds6

About methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (PubChem CID 120842283) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
PubChem CID120842283
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Namemethyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)c1
InChIInChI=1S/C19H21N5O4/c1-26-19(25)13-4-2-6-15(10-13)27-12-17-21-18(28-23-17)16-7-9-24(22-16)14-5-3-8-20-11-14/h2,4,6-7,9-10,14,20H,3,5,8,11-12H2,1H3
InChIKeySYDLRRUKXCBKCD-UHFFFAOYSA-N
XLogP2.22
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate with MolForge

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Related Compounds

3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291
methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
CID 120842254
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
methyl 3-[[5-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 138009454
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842271
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (CID 120842283) is methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)c1.
What is the InChIKey of methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The InChIKey is SYDLRRUKXCBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-19(25)13-4-2-6-15(10-13)27-12-17-21-18(28-23-17)16-7-9-24(22-16)14-5-3-8-20-11-14/h2,4,6-7,9-10,14,20H,3,5,8,11-12H2,1H3.
What are the key properties of methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate has a molecular weight of 383.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is sourced from PubChem (CID 120842283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).