N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide

C21H26N8O3 — CID 55838736

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C21H26N8O3/c1-13-9-14(2)23-21(22-13)29-18(11-15(3)25-29)24-19(30)12-27-5-7-28(8-6-27)20(31)17-10-16(4)26-32-17/h9-11H,5-8,12H2,1-4H3,(H,24,30)
InChIKeyJQQACFRVFRXCLA-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55838736) has the molecular formula C21H26N8O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID55838736
Molecular FormulaC21H26N8O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C21H26N8O3/c1-13-9-14(2)23-21(22-13)29-18(11-15(3)25-29)24-19(30)12-27-5-7-28(8-6-27)20(31)17-10-16(4)26-32-17/h9-11H,5-8,12H2,1-4H3,(H,24,30)
InChIKeyJQQACFRVFRXCLA-UHFFFAOYSA-N
XLogP1.28
TPSA122.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 55995705
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37141496
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 78900724
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 55838315
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)acetamide
CID 139004122
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 87017637

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide (CID 55838736) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide is Cc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)CC2)on1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is JQQACFRVFRXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O3/c1-13-9-14(2)23-21(22-13)29-18(11-15(3)25-29)24-19(30)12-27-5-7-28(8-6-27)20(31)17-10-16(4)26-32-17/h9-11H,5-8,12H2,1-4H3,(H,24,30).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55838736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).