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

C16H13N3O2 — CID 664761

IUPAC2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCc1ccccc1
InChIInChI=1S/C16H13N3O2/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)21-16(19-13)14-7-4-10-20-14/h1-7,10,18H,8-9H2
InChIKeyWZVMSOYOJSVRQW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.46
Rot. Bonds5

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

2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 664761) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID664761
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCc1ccccc1
InChIInChI=1S/C16H13N3O2/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)21-16(19-13)14-7-4-10-20-14/h1-7,10,18H,8-9H2
InChIKeyWZVMSOYOJSVRQW-UHFFFAOYSA-N
XLogP3.46
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 664761) is 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCCc1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is WZVMSOYOJSVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)21-16(19-13)14-7-4-10-20-14/h1-7,10,18H,8-9H2.
What are the key properties of 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).