3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione

C10H9N5O3 — CID 136926833

IUPAC3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccon3)nc21
InChIInChI=1S/C10H9N5O3/c1-2-15-8-6(9(16)13-10(15)17)11-7(12-8)5-3-4-18-14-5/h3-4H,2H2,1H3,(H,11,12)(H,13,16,17)
InChIKeyLRPBAUCBECXWII-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.09
Rot. Bonds2

About 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione

3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione (PubChem CID 136926833) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
PubChem CID136926833
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccon3)nc21
InChIInChI=1S/C10H9N5O3/c1-2-15-8-6(9(16)13-10(15)17)11-7(12-8)5-3-4-18-14-5/h3-4H,2H2,1H3,(H,11,12)(H,13,16,17)
InChIKeyLRPBAUCBECXWII-UHFFFAOYSA-N
XLogP0.09
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
CID 115600488
8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione
CID 106688329
6-(3-ethyl-2,6-dioxo-7H-purin-8-yl)pyridine-3-carbonitrile
CID 115925575
3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
8-(2,5-dichlorophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115925610
8-(3-bromophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115600497
8-(6-chloro-3-pyridinyl)-3-ethyl-7H-purine-2,6-dione
CID 147125697
3-ethyl-8-(2-hydroxypropan-2-yl)-7H-purine-2,6-dione
CID 112568946
8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876
3-ethyl-8-(4-methylthiophen-3-yl)-7H-purine-2,6-dione
CID 112568950
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
3-ethyl-8-(2-methylbutan-2-yl)-7H-purine-2,6-dione
CID 112568931

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione?
The IUPAC name of 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione (CID 136926833) is 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione.
What is the SMILES notation for 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione?
The canonical SMILES for 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccon3)nc21.
What is the InChIKey of 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione?
The InChIKey is LRPBAUCBECXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-2-15-8-6(9(16)13-10(15)17)11-7(12-8)5-3-4-18-14-5/h3-4H,2H2,1H3,(H,11,12)(H,13,16,17).
What are the key properties of 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione?
3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione has a molecular weight of 247.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione is sourced from PubChem (CID 136926833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).