2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H32N6O3 — CID 46491584

IUPAC2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)CC2)no1
InChIInChI=1S/C21H32N6O3/c1-14(2)17-12-16(23-27(17)21(4,5)6)20(29)26-9-7-25(8-10-26)13-19(28)22-18-11-15(3)30-24-18/h11-12,14H,7-10,13H2,1-6H3,(H,22,24,28)
InChIKeyKBBAGMPUOLYETL-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.45
Rot. Bonds5

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

2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 46491584) has the molecular formula C21H32N6O3 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID46491584
Molecular FormulaC21H32N6O3
Molecular Weight416.53 g/mol
Exact Mass416.25
IUPAC Name2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)CC2)no1
InChIInChI=1S/C21H32N6O3/c1-14(2)17-12-16(23-27(17)21(4,5)6)20(29)26-9-7-25(8-10-26)13-19(28)22-18-11-15(3)30-24-18/h11-12,14H,7-10,13H2,1-6H3,(H,22,24,28)
InChIKeyKBBAGMPUOLYETL-UHFFFAOYSA-N
XLogP2.45
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
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
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24620104
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 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) is 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)CC2)no1.
What is the InChIKey of 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KBBAGMPUOLYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3/c1-14(2)17-12-16(23-27(17)21(4,5)6)20(29)26-9-7-25(8-10-26)13-19(28)22-18-11-15(3)30-24-18/h11-12,14H,7-10,13H2,1-6H3,(H,22,24,28).
What are the key properties of 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 46491584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).