N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide

C11H10N6O4 — CID 142652243

IUPACN-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
SMILESCCc1cnc(NC(=O)n2cnc3c(=O)[nH]c(=O)[nH]c32)o1
InChIInChI=1S/C11H10N6O4/c1-2-5-3-12-10(21-5)16-11(20)17-4-13-6-7(17)14-9(19)15-8(6)18/h3-4H,2H2,1H3,(H,12,16,20)(H2,14,15,18,19)
InChIKeyLFYGEGYLOROCBF-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.04
Rot. Bonds2

About N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide

N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide (PubChem CID 142652243) has the molecular formula C11H10N6O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
PubChem CID142652243
Molecular FormulaC11H10N6O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC NameN-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
SMILESCCc1cnc(NC(=O)n2cnc3c(=O)[nH]c(=O)[nH]c32)o1
InChIInChI=1S/C11H10N6O4/c1-2-5-3-12-10(21-5)16-11(20)17-4-13-6-7(17)14-9(19)15-8(6)18/h3-4H,2H2,1H3,(H,12,16,20)(H2,14,15,18,19)
InChIKeyLFYGEGYLOROCBF-UHFFFAOYSA-N
XLogP0.04
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide (CID 142652243) is N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide is CCc1cnc(NC(=O)n2cnc3c(=O)[nH]c(=O)[nH]c32)o1.
What is the InChIKey of N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The InChIKey is LFYGEGYLOROCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O4/c1-2-5-3-12-10(21-5)16-11(20)17-4-13-6-7(17)14-9(19)15-8(6)18/h3-4H,2H2,1H3,(H,12,16,20)(H2,14,15,18,19).
What are the key properties of N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide is sourced from PubChem (CID 142652243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).