N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

C23H18N4O5 — CID 16798892

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cc(C)on3)c2=O)cc1
InChIInChI=1S/C23H18N4O5/c1-13-7-9-15(10-8-13)27-22(29)21-20(16-5-3-4-6-17(16)31-21)26(23(27)30)12-19(28)24-18-11-14(2)32-25-18/h3-11H,12H2,1-2H3,(H,24,25,28)
InChIKeyAQSQKDBDGIWGOJ-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.14
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 16798892) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID16798892
Molecular FormulaC23H18N4O5
Molecular Weight430.42 g/mol
Exact Mass430.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cc(C)on3)c2=O)cc1
InChIInChI=1S/C23H18N4O5/c1-13-7-9-15(10-8-13)27-22(29)21-20(16-5-3-4-6-17(16)31-21)26(23(27)30)12-19(28)24-18-11-14(2)32-25-18/h3-11H,12H2,1-2H3,(H,24,25,28)
InChIKeyAQSQKDBDGIWGOJ-UHFFFAOYSA-N
XLogP3.14
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
CID 18563313
2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 18563318
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563315
N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563331
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 18591039
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 18559848
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7207914
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 16798895
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71864510
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)propanamide
CID 51316282
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 43058477

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide (CID 16798892) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cc(C)on3)c2=O)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is AQSQKDBDGIWGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O5/c1-13-7-9-15(10-8-13)27-22(29)21-20(16-5-3-4-6-17(16)31-21)26(23(27)30)12-19(28)24-18-11-14(2)32-25-18/h3-11H,12H2,1-2H3,(H,24,25,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 430.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 16798892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).