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

C23H28N4O2 — CID 92557725

IUPAC1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@H]2c2c(-c3onc(C)c3C)cnn2C)cc1
InChIInChI=1S/C23H28N4O2/c1-15-8-10-18(11-9-15)13-21(28)27-12-6-5-7-20(27)22-19(14-24-26(22)4)23-16(2)17(3)25-29-23/h8-11,14,20H,5-7,12-13H2,1-4H3/t20-/m0/s1
InChIKeyNSNAJVBLSMBULY-FQEVSTJZSA-N
MW392.50 g/mol
LogP4.30
Rot. Bonds4

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

1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 92557725) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID92557725
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@H]2c2c(-c3onc(C)c3C)cnn2C)cc1
InChIInChI=1S/C23H28N4O2/c1-15-8-10-18(11-9-15)13-21(28)27-12-6-5-7-20(27)22-19(14-24-26(22)4)23-16(2)17(3)25-29-23/h8-11,14,20H,5-7,12-13H2,1-4H3/t20-/m0/s1
InChIKeyNSNAJVBLSMBULY-FQEVSTJZSA-N
XLogP4.30
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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-[(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-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92590457
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
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
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-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
2-(4-methoxyphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92565994

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 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) is 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCCC[C@H]2c2c(-c3onc(C)c3C)cnn2C)cc1.
What is the InChIKey of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is NSNAJVBLSMBULY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-8-10-18(11-9-15)13-21(28)27-12-6-5-7-20(27)22-19(14-24-26(22)4)23-16(2)17(3)25-29-23/h8-11,14,20H,5-7,12-13H2,1-4H3/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 392.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 92557725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).