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

C21H19N3O5 — CID 110630222

IUPAC2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2cccc3c2OCC(=O)N3)c(C)o1
InChIInChI=1S/C21H19N3O5/c1-12-16(24-21(29-12)13-6-3-4-9-17(13)27-2)10-18(25)22-14-7-5-8-15-20(14)28-11-19(26)23-15/h3-9H,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKFVFARGYEJCPAM-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.17
Rot. Bonds5

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

2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110630222) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
PubChem CID110630222
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCOc1ccccc1-c1nc(CC(=O)Nc2cccc3c2OCC(=O)N3)c(C)o1
InChIInChI=1S/C21H19N3O5/c1-12-16(24-21(29-12)13-6-3-4-9-17(13)27-2)10-18(25)22-14-7-5-8-15-20(14)28-11-19(26)23-15/h3-9H,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKFVFARGYEJCPAM-UHFFFAOYSA-N
XLogP3.17
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630221
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110428837
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424650
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425941
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110607521
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630339
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (CID 110630222) is 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is COc1ccccc1-c1nc(CC(=O)Nc2cccc3c2OCC(=O)N3)c(C)o1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is KFVFARGYEJCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-12-16(24-21(29-12)13-6-3-4-9-17(13)27-2)10-18(25)22-14-7-5-8-15-20(14)28-11-19(26)23-15/h3-9H,10-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110630222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).