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

C9H6N6O4 — CID 142652227

IUPACN-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
SMILESO=C(Nc1ncco1)n1cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C9H6N6O4/c16-6-4-5(12-7(17)13-6)15(3-11-4)9(18)14-8-10-1-2-19-8/h1-3H,(H,10,14,18)(H2,12,13,16,17)
InChIKeyKYVJUFNGVMYCGJ-UHFFFAOYSA-N
MW262.19 g/mol
LogP-0.52
Rot. Bonds1

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

N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide (PubChem CID 142652227) has the molecular formula C9H6N6O4 and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
PubChem CID142652227
Molecular FormulaC9H6N6O4
Molecular Weight262.19 g/mol
Exact Mass262.05
IUPAC NameN-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
SMILESO=C(Nc1ncco1)n1cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C9H6N6O4/c16-6-4-5(12-7(17)13-6)15(3-11-4)9(18)14-8-10-1-2-19-8/h1-3H,(H,10,14,18)(H2,12,13,16,17)
InChIKeyKYVJUFNGVMYCGJ-UHFFFAOYSA-N
XLogP-0.52
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dioxo-N-[5-(trifluoromethyl)-1,3-oxazol-2-yl]-3H-purine-9-carboxamide
CID 142675461
3-fluoro-2,6-dioxo-N-[5-(trifluoromethyl)-1,3-oxazol-2-yl]purine-9-carboxamide
CID 142675463
3-fluoro-2,6-dioxo-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]purine-9-carboxamide
CID 142675464
2,6-dioxo-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-3H-purine-9-carboxamide
CID 142675465
1,7-dimethyloxazolo[2,3-f]purine-2,4(1H,3H)-dione
CID 4972760
3-(2-ethoxyethyl)-1,7-dimethyl[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione
CID 16810790
1,7-dimethyl-3-(2-oxopropyl)oxazolo[2,3-f]purine-2,4(1H,3H)-dione
CID 16810808
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1,3-oxazol-2-yl)ethyl]acetamide
CID 57732968
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-oxazol-2-ylmethyl)acetamide
CID 89662451
4H-purino[8,7-b][1,3]oxazole-1,3-dione
CID 117897118
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[1-(1,3-oxazol-2-yl)ethyl]acetamide
CID 117906373
8-Bromo-3,7-dimethyl-1-(1,3-oxazol-2-ylmethyl)purine-2,6-dione
CID 129268978

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide (CID 142652227) is N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide is O=C(Nc1ncco1)n1cnc2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
The InChIKey is KYVJUFNGVMYCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O4/c16-6-4-5(12-7(17)13-6)15(3-11-4)9(18)14-8-10-1-2-19-8/h1-3H,(H,10,14,18)(H2,12,13,16,17).
What are the key properties of N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide?
N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide has a molecular weight of 262.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide is sourced from PubChem (CID 142652227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).