1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C22H33N5O3 — CID 86877540

IUPAC1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1
InChIInChI=1S/C22H33N5O3/c1-14(2)19-13-18(23-27(19)22(5,6)7)21(29)26-10-8-25(9-11-26)20(28)12-17-15(3)24-30-16(17)4/h13-14H,8-12H2,1-7H3
InChIKeyPUURLGJHAIEZJW-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 86877540) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID86877540
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1
InChIInChI=1S/C22H33N5O3/c1-14(2)19-13-18(23-27(19)22(5,6)7)21(29)26-10-8-25(9-11-26)20(28)12-17-15(3)24-30-16(17)4/h13-14H,8-12H2,1-7H3
InChIKeyPUURLGJHAIEZJW-UHFFFAOYSA-N
XLogP2.89
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 46491584
2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
CID 86877419
1-[4-(5-bromo-3-methylfuran-2-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877541
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137342070
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 46488961
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
CID 86877703
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561194
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 86877540) is 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is PUURLGJHAIEZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-14(2)19-13-18(23-27(19)22(5,6)7)21(29)26-10-8-25(9-11-26)20(28)12-17-15(3)24-30-16(17)4/h13-14H,8-12H2,1-7H3.
What are the key properties of 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 415.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 86877540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).