5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide

C22H28N4O3 — CID 160663312

IUPAC5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide
SMILESCCCC(=O)CNC(=O)c1cc(C2=NOC(C)(c3cn(C)nc3C)C2)ccc1C
InChIInChI=1S/C22H28N4O3/c1-6-7-17(27)12-23-21(28)18-10-16(9-8-14(18)2)20-11-22(4,29-25-20)19-13-26(5)24-15(19)3/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,28)
InChIKeyRLYOBYNJMIYFEX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.18
Rot. Bonds7

About 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide

5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide (PubChem CID 160663312) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide.

Molecular Properties

Compound Name5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide
PubChem CID160663312
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide
SMILESCCCC(=O)CNC(=O)c1cc(C2=NOC(C)(c3cn(C)nc3C)C2)ccc1C
InChIInChI=1S/C22H28N4O3/c1-6-7-17(27)12-23-21(28)18-10-16(9-8-14(18)2)20-11-22(4,29-25-20)19-13-26(5)24-15(19)3/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,28)
InChIKeyRLYOBYNJMIYFEX-UHFFFAOYSA-N
XLogP3.18
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide?
The IUPAC name of 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide (CID 160663312) is 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide.
What is the SMILES notation for 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide?
The canonical SMILES for 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide is CCCC(=O)CNC(=O)c1cc(C2=NOC(C)(c3cn(C)nc3C)C2)ccc1C.
What is the InChIKey of 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide?
The InChIKey is RLYOBYNJMIYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-6-7-17(27)12-23-21(28)18-10-16(9-8-14(18)2)20-11-22(4,29-25-20)19-13-26(5)24-15(19)3/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,28).
What are the key properties of 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide?
5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,3-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(2-oxopentyl)benzamide is sourced from PubChem (CID 160663312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).