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

C14H10N4O2 — CID 663991

IUPAC2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1cccnc1
InChIInChI=1S/C14H10N4O2/c15-7-11-13(17-9-10-3-1-5-16-8-10)20-14(18-11)12-4-2-6-19-12/h1-6,8,17H,9H2
InChIKeyWYZNGXXNVPUPQM-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.81
Rot. Bonds4

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

2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 663991) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID663991
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCc1cccnc1
InChIInChI=1S/C14H10N4O2/c15-7-11-13(17-9-10-3-1-5-16-8-10)20-14(18-11)12-4-2-6-19-12/h1-6,8,17H,9H2
InChIKeyWYZNGXXNVPUPQM-UHFFFAOYSA-N
XLogP2.81
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.81
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-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 663991) is 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCc1cccnc1.
What is the InChIKey of 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is WYZNGXXNVPUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-7-11-13(17-9-10-3-1-5-16-8-10)20-14(18-11)12-4-2-6-19-12/h1-6,8,17H,9H2.
What are the key properties of 2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 2.81, 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-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).