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

C14H16N4O3 — CID 663571

IUPAC2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCN1CCOCC1
InChIInChI=1S/C14H16N4O3/c15-10-11-13(16-3-4-18-5-8-19-9-6-18)21-14(17-11)12-2-1-7-20-12/h1-2,7,16H,3-6,8-9H2
InChIKeyIKLUKHIRKUOBDV-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.55
Rot. Bonds5

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

2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 663571) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID663571
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCN1CCOCC1
InChIInChI=1S/C14H16N4O3/c15-10-11-13(16-3-4-18-5-8-19-9-6-18)21-14(17-11)12-2-1-7-20-12/h1-2,7,16H,3-6,8-9H2
InChIKeyIKLUKHIRKUOBDV-UHFFFAOYSA-N
XLogP1.55
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 663571) is 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCCN1CCOCC1.
What is the InChIKey of 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is IKLUKHIRKUOBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-10-11-13(16-3-4-18-5-8-19-9-6-18)21-14(17-11)12-2-1-7-20-12/h1-2,7,16H,3-6,8-9H2.
What are the key properties of 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).