2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole

C24H26N4O3 — CID 45225018

IUPAC2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC(c3nc4ccccc4o3)C2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-29-18-9-10-19(22(12-18)30-2)23-17(13-25-27-23)15-28-11-5-6-16(14-28)24-26-20-7-3-4-8-21(20)31-24/h3-4,7-10,12-13,16H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyLEPVNOMIKSBSLY-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.61
Rot. Bonds6

About 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole

2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole (PubChem CID 45225018) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
PubChem CID45225018
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC(c3nc4ccccc4o3)C2)c(OC)c1
InChIInChI=1S/C24H26N4O3/c1-29-18-9-10-19(22(12-18)30-2)23-17(13-25-27-23)15-28-11-5-6-16(14-28)24-26-20-7-3-4-8-21(20)31-24/h3-4,7-10,12-13,16H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyLEPVNOMIKSBSLY-UHFFFAOYSA-N
XLogP4.61
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole 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

2-[(3R)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 30868127
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-[(3S)-1-[(1S)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786176
2-[(3S)-1-[(1R)-1-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,3-benzoxazole
CID 95786177
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77083372
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thione
CID 55860170

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole (CID 45225018) is 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole is COc1ccc(-c2[nH]ncc2CN2CCCC(c3nc4ccccc4o3)C2)c(OC)c1.
What is the InChIKey of 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is LEPVNOMIKSBSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-18-9-10-19(22(12-18)30-2)23-17(13-25-27-23)15-28-11-5-6-16(14-28)24-26-20-7-3-4-8-21(20)31-24/h3-4,7-10,12-13,16H,5-6,11,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 418.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 45225018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).