2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

C13H9N3O3 — CID 664051

IUPAC2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccco1
InChIInChI=1S/C13H9N3O3/c14-7-10-12(15-8-9-3-1-5-17-9)19-13(16-10)11-4-2-6-18-11/h1-6,15H,8H2
InChIKeyXOFNCPWBUITSOU-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.01
Rot. Bonds4

About 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 664051) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID664051
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1ccco1
InChIInChI=1S/C13H9N3O3/c14-7-10-12(15-8-9-3-1-5-17-9)19-13(16-10)11-4-2-6-18-11/h1-6,15H,8H2
InChIKeyXOFNCPWBUITSOU-UHFFFAOYSA-N
XLogP3.01
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 664051) is 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCc1ccco1.
What is the InChIKey of 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is XOFNCPWBUITSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-7-10-12(15-8-9-3-1-5-17-9)19-13(16-10)11-4-2-6-18-11/h1-6,15H,8H2.
What are the key properties of 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 255.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).