5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C18H21N5O4 — CID 167807819

IUPAC5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cc(C4CCCN4)[nH]n3)n2)cc(OC)c1OC
InChIInChI=1S/C18H21N5O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17-20-18(27-23-17)13-9-12(21-22-13)11-5-4-6-19-11/h7-9,11,19H,4-6H2,1-3H3,(H,21,22)
InChIKeyPQYCASYTDZCZGB-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.58
Rot. Bonds6

About 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 167807819) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID167807819
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cc(C4CCCN4)[nH]n3)n2)cc(OC)c1OC
InChIInChI=1S/C18H21N5O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17-20-18(27-23-17)13-9-12(21-22-13)11-5-4-6-19-11/h7-9,11,19H,4-6H2,1-3H3,(H,21,22)
InChIKeyPQYCASYTDZCZGB-UHFFFAOYSA-N
XLogP2.58
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42585033
3-(4-methoxy-3,5-dimethylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 82626027
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835674
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916810
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835553
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569152
2-[6-(azepan-2-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide
CID 21151501

Frequently Asked Questions

What is the IUPAC name of 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 167807819) is 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cc(C4CCCN4)[nH]n3)n2)cc(OC)c1OC.
What is the InChIKey of 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is PQYCASYTDZCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17-20-18(27-23-17)13-9-12(21-22-13)11-5-4-6-19-11/h7-9,11,19H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 371.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-pyrrolidin-2-yl-1H-pyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167807819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).