1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H22N4O4 — CID 56911887

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C17H22N4O4/c1-11-9-18-21(10-11)17(16(23)24)4-6-20(7-5-17)15(22)8-14-12(2)19-25-13(14)3/h9-10H,4-8H2,1-3H3,(H,23,24)
InChIKeyZYBZBSDDDFWQRS-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56911887) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56911887
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C17H22N4O4/c1-11-9-18-21(10-11)17(16(23)24)4-6-20(7-5-17)15(22)8-14-12(2)19-25-13(14)3/h9-10H,4-8H2,1-3H3,(H,23,24)
InChIKeyZYBZBSDDDFWQRS-UHFFFAOYSA-N
XLogP1.44
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 95020300
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70740424
1-[3-(furan-2-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56914941
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 154741195
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-(cyclohex-3-ene-1-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70781523
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
4-(4-methylpyrazol-1-yl)-1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 122131210
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83075805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56911887) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)Cc3c(C)noc3C)CC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is ZYBZBSDDDFWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-9-18-21(10-11)17(16(23)24)4-6-20(7-5-17)15(22)8-14-12(2)19-25-13(14)3/h9-10H,4-8H2,1-3H3,(H,23,24).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56911887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).