2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C13H9N7O2 — CID 155786270

IUPAC2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccon1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C13H9N7O2/c21-12(17-9-2-6-22-19-9)11-10-8(1-3-15-10)16-13(18-11)20-5-4-14-7-20/h1-7,15H,(H,17,19,21)
InChIKeyHCEHWGBCUJPSBB-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.38
Rot. Bonds3

About 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786270) has the molecular formula C13H9N7O2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786270
Molecular FormulaC13H9N7O2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccon1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C13H9N7O2/c21-12(17-9-2-6-22-19-9)11-10-8(1-3-15-10)16-13(18-11)20-5-4-14-7-20/h1-7,15H,(H,17,19,21)
InChIKeyHCEHWGBCUJPSBB-UHFFFAOYSA-N
XLogP1.38
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786270) is 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is O=C(Nc1ccon1)c1nc(-n2ccnc2)nc2cc[nH]c12.
What is the InChIKey of 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is HCEHWGBCUJPSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O2/c21-12(17-9-2-6-22-19-9)11-10-8(1-3-15-10)16-13(18-11)20-5-4-14-7-20/h1-7,15H,(H,17,19,21).
What are the key properties of 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(1,2-oxazol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).