8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione

C10H9N5O3 — CID 114402898

IUPAC8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione
SMILESCc1nc(C)c(-c2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)o1
InChIInChI=1S/C10H9N5O3/c1-3-6(18-4(2)11-3)8-12-5-7(13-8)14-10(17)15-9(5)16/h1-2H3,(H3,12,13,14,15,16,17)
InChIKeyQQRIPLWXESGBJB-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.21
Rot. Bonds1

About 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione

8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione (PubChem CID 114402898) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione
PubChem CID114402898
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione
SMILESCc1nc(C)c(-c2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)o1
InChIInChI=1S/C10H9N5O3/c1-3-6(18-4(2)11-3)8-12-5-7(13-8)14-10(17)15-9(5)16/h1-2H3,(H3,12,13,14,15,16,17)
InChIKeyQQRIPLWXESGBJB-UHFFFAOYSA-N
XLogP0.21
TPSA120.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione (CID 114402898) is 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione is Cc1nc(C)c(-c2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)o1.
What is the InChIKey of 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione?
The InChIKey is QQRIPLWXESGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-3-6(18-4(2)11-3)8-12-5-7(13-8)14-10(17)15-9(5)16/h1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione?
8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione has a molecular weight of 247.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-oxazol-5-yl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).