3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H15ClN6O4 — CID 51311592

IUPAC3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)no1
InChIInChI=1S/C14H15ClN6O4/c1-7-6-8(18-25-7)16-9(22)4-5-21-10-11(17-13(21)15)19(2)14(24)20(3)12(10)23/h6H,4-5H2,1-3H3,(H,16,18,22)
InChIKeyOHXPDJUQIBEGBV-UHFFFAOYSA-N
MW366.77 g/mol
LogP0.41
Rot. Bonds4

About 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51311592) has the molecular formula C14H15ClN6O4 and a molecular weight of 366.77 g/mol. Its IUPAC name is 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID51311592
Molecular FormulaC14H15ClN6O4
Molecular Weight366.77 g/mol
Exact Mass366.08
IUPAC Name3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)no1
InChIInChI=1S/C14H15ClN6O4/c1-7-6-8(18-25-7)16-9(22)4-5-21-10-11(17-13(21)15)19(2)14(24)20(3)12(10)23/h6H,4-5H2,1-3H3,(H,16,18,22)
InChIKeyOHXPDJUQIBEGBV-UHFFFAOYSA-N
XLogP0.41
TPSA116.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650308
N-(2-acetylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 8017989
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8870939
8-chloro-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 3239845
8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
CID 3423196
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17454283
N-(tert-butylcarbamoyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 2513556
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 703754
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-3-ylacetamide
CID 8017982
3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-ethylbenzamide
CID 9201799
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8018124
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26761255

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51311592) is 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)no1.
What is the InChIKey of 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OHXPDJUQIBEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O4/c1-7-6-8(18-25-7)16-9(22)4-5-21-10-11(17-13(21)15)19(2)14(24)20(3)12(10)23/h6H,4-5H2,1-3H3,(H,16,18,22).
What are the key properties of 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 366.77 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51311592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).