1,2-oxazole;1,3-oxazole;7H-purine

C11H10N6O2 — CID 174661923

IUPAC1,2-oxazole;1,3-oxazole;7H-purine
SMILESc1cnoc1.c1cocn1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.2C3H3NO/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,6,7,8,9);2*1-3H
InChIKeyNREJBFSLWAYJIR-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.70
Rot. Bonds

About 1,2-oxazole;1,3-oxazole;7H-purine

1,2-oxazole;1,3-oxazole;7H-purine (PubChem CID 174661923) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;7H-purine.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;7H-purine
PubChem CID174661923
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1,2-oxazole;1,3-oxazole;7H-purine
SMILESc1cnoc1.c1cocn1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.2C3H3NO/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,6,7,8,9);2*1-3H
InChIKeyNREJBFSLWAYJIR-UHFFFAOYSA-N
XLogP1.70
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;7H-purine?
The IUPAC name of 1,2-oxazole;1,3-oxazole;7H-purine (CID 174661923) is 1,2-oxazole;1,3-oxazole;7H-purine.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;7H-purine?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;7H-purine is c1cnoc1.c1cocn1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;7H-purine?
The InChIKey is NREJBFSLWAYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.2C3H3NO/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-3-4-1;1-2-4-5-3-1/h1-3H,(H,6,7,8,9);2*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;7H-purine?
1,2-oxazole;1,3-oxazole;7H-purine has a molecular weight of 258.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;7H-purine is sourced from PubChem (CID 174661923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).