3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

C18H20ClN5O3 — CID 120838813

IUPAC3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccn(C4CCCNC4)n3)n2)cc(Cl)c1OC
InChIInChI=1S/C18H20ClN5O3/c1-25-15-9-11(8-13(19)16(15)26-2)17-21-18(27-23-17)14-5-7-24(22-14)12-4-3-6-20-10-12/h5,7-9,12,20H,3-4,6,10H2,1-2H3
InChIKeyQOYAUICRXSBFIE-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.20
Rot. Bonds5

About 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole

3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 120838813) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID120838813
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccn(C4CCCNC4)n3)n2)cc(Cl)c1OC
InChIInChI=1S/C18H20ClN5O3/c1-25-15-9-11(8-13(19)16(15)26-2)17-21-18(27-23-17)14-5-7-24(22-14)12-4-3-6-20-10-12/h5,7-9,12,20H,3-4,6,10H2,1-2H3
InChIKeyQOYAUICRXSBFIE-UHFFFAOYSA-N
XLogP3.20
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427804
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120893864
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
N-[[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60955513
5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 167807819
N-[2-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120838788
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylpropan-1-one
CID 119402803

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (CID 120838813) is 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccn(C4CCCNC4)n3)n2)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is QOYAUICRXSBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-25-15-9-11(8-13(19)16(15)26-2)17-21-18(27-23-17)14-5-7-24(22-14)12-4-3-6-20-10-12/h5,7-9,12,20H,3-4,6,10H2,1-2H3.
What are the key properties of 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 389.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).