[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone

C20H22N4O2 — CID 136766135

IUPAC[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1noc(-c2cn[nH]c2C2CCCCN2C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H22N4O2/c1-13-14(2)23-26-19(13)16-12-21-22-18(16)17-10-6-7-11-24(17)20(25)15-8-4-3-5-9-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyYGYDLENRPIJYHE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.05
Rot. Bonds3

About [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone

[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 136766135) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
PubChem CID136766135
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1noc(-c2cn[nH]c2C2CCCCN2C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H22N4O2/c1-13-14(2)23-26-19(13)16-12-21-22-18(16)17-10-6-7-11-24(17)20(25)15-8-4-3-5-9-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyYGYDLENRPIJYHE-UHFFFAOYSA-N
XLogP4.05
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136735759
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
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-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 136763173
5-[5-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136735719
3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136735725
5-[5-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766152
5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766141
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124941822
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
[4-(dimethylamino)phenyl]-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218490

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone (CID 136766135) is [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone is Cc1noc(-c2cn[nH]c2C2CCCCN2C(=O)c2ccccc2)c1C.
What is the InChIKey of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YGYDLENRPIJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-14(2)23-26-19(13)16-12-21-22-18(16)17-10-6-7-11-24(17)20(25)15-8-4-3-5-9-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone?
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 350.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 136766135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).