N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C19H16N6O5 — CID 122635913

IUPACN-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nc3c(o2)COc2ccccc2-3)n(C)c1=O
InChIInChI=1S/C19H16N6O5/c1-23-16-15(17(27)24(2)19(23)28)25(9-20-16)7-13(26)21-18-22-14-10-5-3-4-6-11(10)29-8-12(14)30-18/h3-6,9H,7-8H2,1-2H3,(H,21,22,26)
InChIKeyOVCGHVYOJPUGMS-UHFFFAOYSA-N
MW408.37 g/mol
LogP0.62
Rot. Bonds3

About N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 122635913) has the molecular formula C19H16N6O5 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID122635913
Molecular FormulaC19H16N6O5
Molecular Weight408.37 g/mol
Exact Mass408.12
IUPAC NameN-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nc3c(o2)COc2ccccc2-3)n(C)c1=O
InChIInChI=1S/C19H16N6O5/c1-23-16-15(17(27)24(2)19(23)28)25(9-20-16)7-13(26)21-18-22-14-10-5-3-4-6-11(10)29-8-12(14)30-18/h3-6,9H,7-8H2,1-2H3,(H,21,22,26)
InChIKeyOVCGHVYOJPUGMS-UHFFFAOYSA-N
XLogP0.62
TPSA126.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 52993074
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
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CID 88570004
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CID 1250074
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CID 40730819
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 122635913) is N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2nc3c(o2)COc2ccccc2-3)n(C)c1=O.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is OVCGHVYOJPUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O5/c1-23-16-15(17(27)24(2)19(23)28)25(9-20-16)7-13(26)21-18-22-14-10-5-3-4-6-11(10)29-8-12(14)30-18/h3-6,9H,7-8H2,1-2H3,(H,21,22,26).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 408.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 122635913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).