7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile

C10H5N5O2 — CID 18982122

IUPAC7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1nc(N)c2nc(-c3ccco3)oc2n1
InChIInChI=1S/C10H5N5O2/c11-4-6-13-8(12)7-10(14-6)17-9(15-7)5-2-1-3-16-5/h1-3H,(H2,12,13,14)
InChIKeyIYVTVULFRYSZKN-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.33
Rot. Bonds1

About 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile

7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile (PubChem CID 18982122) has the molecular formula C10H5N5O2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
PubChem CID18982122
Molecular FormulaC10H5N5O2
Molecular Weight227.18 g/mol
Exact Mass227.04
IUPAC Name7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1nc(N)c2nc(-c3ccco3)oc2n1
InChIInChI=1S/C10H5N5O2/c11-4-6-13-8(12)7-10(14-6)17-9(15-7)5-2-1-3-16-5/h1-3H,(H2,12,13,14)
InChIKeyIYVTVULFRYSZKN-UHFFFAOYSA-N
XLogP1.33
TPSA114.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile (CID 18982122) is 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile is N#Cc1nc(N)c2nc(-c3ccco3)oc2n1.
What is the InChIKey of 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
The InChIKey is IYVTVULFRYSZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O2/c11-4-6-13-8(12)7-10(14-6)17-9(15-7)5-2-1-3-16-5/h1-3H,(H2,12,13,14).
What are the key properties of 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile?
7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile has a molecular weight of 227.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(furan-2-yl)-[1,3]oxazolo[5,4-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 18982122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).