2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine

C8H10N2O2 — CID 82414321

IUPAC2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine
SMILESCC(C)(N)c1nc2cocc2o1
InChIInChI=1S/C8H10N2O2/c1-8(2,9)7-10-5-3-11-4-6(5)12-7/h3-4H,9H2,1-2H3
InChIKeyXFEZFWFNQDHALN-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.61
Rot. Bonds1

About 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine

2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine (PubChem CID 82414321) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine
PubChem CID82414321
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine
SMILESCC(C)(N)c1nc2cocc2o1
InChIInChI=1S/C8H10N2O2/c1-8(2,9)7-10-5-3-11-4-6(5)12-7/h3-4H,9H2,1-2H3
InChIKeyXFEZFWFNQDHALN-UHFFFAOYSA-N
XLogP1.61
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine?
The IUPAC name of 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine (CID 82414321) is 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine.
What is the SMILES notation for 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine?
The canonical SMILES for 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine is CC(C)(N)c1nc2cocc2o1.
What is the InChIKey of 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine?
The InChIKey is XFEZFWFNQDHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2,9)7-10-5-3-11-4-6(5)12-7/h3-4H,9H2,1-2H3.
What are the key properties of 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine?
2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine has a molecular weight of 166.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine is sourced from PubChem (CID 82414321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).