furo[3,2-d][1,3]oxazole-6-carbonitrile

C6H2N2O2 — CID 82418672

IUPACfuro[3,2-d][1,3]oxazole-6-carbonitrile
SMILESN#Cc1coc2ocnc12
InChIInChI=1S/C6H2N2O2/c7-1-4-2-9-6-5(4)8-3-10-6/h2-3H
InChIKeyLCQDWIGVEHJBCL-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.29
Rot. Bonds

About furo[3,2-d][1,3]oxazole-6-carbonitrile

furo[3,2-d][1,3]oxazole-6-carbonitrile (PubChem CID 82418672) has the molecular formula C6H2N2O2 and a molecular weight of 134.09 g/mol. Its IUPAC name is furo[3,2-d][1,3]oxazole-6-carbonitrile.

Molecular Properties

Compound Namefuro[3,2-d][1,3]oxazole-6-carbonitrile
PubChem CID82418672
Molecular FormulaC6H2N2O2
Molecular Weight134.09 g/mol
Exact Mass134.01
IUPAC Namefuro[3,2-d][1,3]oxazole-6-carbonitrile
SMILESN#Cc1coc2ocnc12
InChIInChI=1S/C6H2N2O2/c7-1-4-2-9-6-5(4)8-3-10-6/h2-3H
InChIKeyLCQDWIGVEHJBCL-UHFFFAOYSA-N
XLogP1.29
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furo[3,2-d][1,3]oxazole-6-carbonitrile?
The IUPAC name of furo[3,2-d][1,3]oxazole-6-carbonitrile (CID 82418672) is furo[3,2-d][1,3]oxazole-6-carbonitrile.
What is the SMILES notation for furo[3,2-d][1,3]oxazole-6-carbonitrile?
The canonical SMILES for furo[3,2-d][1,3]oxazole-6-carbonitrile is N#Cc1coc2ocnc12.
What is the InChIKey of furo[3,2-d][1,3]oxazole-6-carbonitrile?
The InChIKey is LCQDWIGVEHJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N2O2/c7-1-4-2-9-6-5(4)8-3-10-6/h2-3H.
What are the key properties of furo[3,2-d][1,3]oxazole-6-carbonitrile?
furo[3,2-d][1,3]oxazole-6-carbonitrile has a molecular weight of 134.09 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-d][1,3]oxazole-6-carbonitrile is sourced from PubChem (CID 82418672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).