2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide

C22H21N3O4 — CID 110630337

IUPAC2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc4c3OCC(=O)N4C)c(C)o2)cc1
InChIInChI=1S/C22H21N3O4/c1-13-7-9-15(10-8-13)22-24-17(14(2)29-22)11-19(26)23-16-5-4-6-18-21(16)28-12-20(27)25(18)3/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyAWUNFXVKDGUAFE-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.49
Rot. Bonds4

About 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide

2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110630337) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
PubChem CID110630337
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc4c3OCC(=O)N4C)c(C)o2)cc1
InChIInChI=1S/C22H21N3O4/c1-13-7-9-15(10-8-13)22-24-17(14(2)29-22)11-19(26)23-16-5-4-6-18-21(16)28-12-20(27)25(18)3/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyAWUNFXVKDGUAFE-UHFFFAOYSA-N
XLogP3.49
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide (CID 110630337) is 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide is Cc1ccc(-c2nc(CC(=O)Nc3cccc4c3OCC(=O)N4C)c(C)o2)cc1.
What is the InChIKey of 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is AWUNFXVKDGUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-7-9-15(10-8-13)22-24-17(14(2)29-22)11-19(26)23-16-5-4-6-18-21(16)28-12-20(27)25(18)3/h4-10H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110630337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).