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

C22H28N4O3 — CID 136766141

IUPAC5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
SMILESCOc1ccc(CN2CCCCC2c2[nH]ncc2-c2onc(C)c2C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-14-15(2)25-29-22(14)17-12-23-24-21(17)18-7-5-6-10-26(18)13-16-8-9-19(27-3)20(11-16)28-4/h8-9,11-12,18H,5-7,10,13H2,1-4H3,(H,23,24)
InChIKeyFYAWMAFCFFDIMY-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.43
Rot. Bonds6

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

5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole (PubChem CID 136766141) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
PubChem CID136766141
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
SMILESCOc1ccc(CN2CCCCC2c2[nH]ncc2-c2onc(C)c2C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-14-15(2)25-29-22(14)17-12-23-24-21(17)18-7-5-6-10-26(18)13-16-8-9-19(27-3)20(11-16)28-4/h8-9,11-12,18H,5-7,10,13H2,1-4H3,(H,23,24)
InChIKeyFYAWMAFCFFDIMY-UHFFFAOYSA-N
XLogP4.43
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136735719
5-[5-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766152
3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136735725
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136860857
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766135
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
4-[[(2R)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]methyl]-2-methoxyphenol
CID 92598162
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809425
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 136763173

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole?
The IUPAC name of 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole (CID 136766141) is 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole?
The canonical SMILES for 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole is COc1ccc(CN2CCCCC2c2[nH]ncc2-c2onc(C)c2C)cc1OC.
What is the InChIKey of 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole?
The InChIKey is FYAWMAFCFFDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-15(2)25-29-22(14)17-12-23-24-21(17)18-7-5-6-10-26(18)13-16-8-9-19(27-3)20(11-16)28-4/h8-9,11-12,18H,5-7,10,13H2,1-4H3,(H,23,24).
What are the key properties of 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole?
5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole has a molecular weight of 396.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole is sourced from PubChem (CID 136766141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).