2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone

C24H30N4O4 — CID 110236370

IUPAC2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2c2c(-c3onc(C)c3C)cnn2C)c1
InChIInChI=1S/C24H30N4O4/c1-15-16(2)26-32-24(15)19-14-25-27(3)23(19)20-8-6-7-11-28(20)22(29)13-17-12-18(30-4)9-10-21(17)31-5/h9-10,12,14,20H,6-8,11,13H2,1-5H3
InChIKeyZXDRLTVYKOYILY-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.01
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone

2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 110236370) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID110236370
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2c2c(-c3onc(C)c3C)cnn2C)c1
InChIInChI=1S/C24H30N4O4/c1-15-16(2)26-32-24(15)19-14-25-27(3)23(19)20-8-6-7-11-28(20)22(29)13-17-12-18(30-4)9-10-21(17)31-5/h9-10,12,14,20H,6-8,11,13H2,1-5H3
InChIKeyZXDRLTVYKOYILY-UHFFFAOYSA-N
XLogP4.01
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110236368
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557725
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 119435917
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136735701
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92594548
2-(4-methoxyphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92565994
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
2-(4-methoxyphenyl)-1-[2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]ethanone
CID 110219894
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone (CID 110236370) is 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone is COc1ccc(OC)c(CC(=O)N2CCCCC2c2c(-c3onc(C)c3C)cnn2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is ZXDRLTVYKOYILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15-16(2)26-32-24(15)19-14-25-27(3)23(19)20-8-6-7-11-28(20)22(29)13-17-12-18(30-4)9-10-21(17)31-5/h9-10,12,14,20H,6-8,11,13H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone?
2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110236370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).