4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

C21H26N4O3 — CID 50809425

IUPAC4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC2c2c(C)noc2C)cc1OC
InChIInChI=1S/C21H26N4O3/c1-13-20(14(2)28-24-13)17-6-5-9-25(17)12-16-11-22-23-21(16)15-7-8-18(26-3)19(10-15)27-4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,22,23)
InChIKeyVOCJPGXBMUBZCN-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.04
Rot. Bonds6

About 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 50809425) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID50809425
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC2c2c(C)noc2C)cc1OC
InChIInChI=1S/C21H26N4O3/c1-13-20(14(2)28-24-13)17-6-5-9-25(17)12-16-11-22-23-21(16)15-7-8-18(26-3)19(10-15)27-4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,22,23)
InChIKeyVOCJPGXBMUBZCN-UHFFFAOYSA-N
XLogP4.04
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 50809425) is 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2[nH]ncc2CN2CCCC2c2c(C)noc2C)cc1OC.
What is the InChIKey of 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VOCJPGXBMUBZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-20(14(2)28-24-13)17-6-5-9-25(17)12-16-11-22-23-21(16)15-7-8-18(26-3)19(10-15)27-4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,22,23).
What are the key properties of 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 382.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 50809425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).