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

C7H4N2O2 — CID 96636335

IUPAC2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile
SMILESCc1nc2c(C#N)coc2o1
InChIInChI=1S/C7H4N2O2/c1-4-9-6-5(2-8)3-10-7(6)11-4/h3H,1H3
InChIKeyFWYYBIJASANOAA-UHFFFAOYSA-N
MW148.12 g/mol
LogP1.60
Rot. Bonds

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

2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile (PubChem CID 96636335) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile.

Molecular Properties

Compound Name2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile
PubChem CID96636335
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile
SMILESCc1nc2c(C#N)coc2o1
InChIInChI=1S/C7H4N2O2/c1-4-9-6-5(2-8)3-10-7(6)11-4/h3H,1H3
InChIKeyFWYYBIJASANOAA-UHFFFAOYSA-N
XLogP1.60
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile?
The IUPAC name of 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile (CID 96636335) is 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile.
What is the SMILES notation for 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile?
The canonical SMILES for 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile is Cc1nc2c(C#N)coc2o1.
What is the InChIKey of 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile?
The InChIKey is FWYYBIJASANOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c1-4-9-6-5(2-8)3-10-7(6)11-4/h3H,1H3.
What are the key properties of 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile?
2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile has a molecular weight of 148.12 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuro[3,2-d][1,3]oxazole-6-carbonitrile is sourced from PubChem (CID 96636335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).