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

C16H13N3OS — CID 661185

IUPAC5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCCc1ccccc1
InChIInChI=1S/C16H13N3OS/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)20-16(19-13)14-7-4-10-21-14/h1-7,10,18H,8-9H2
InChIKeyVOHJGRSRBPHBFC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.93
Rot. Bonds5

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

5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661185) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661185
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCCc1ccccc1
InChIInChI=1S/C16H13N3OS/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)20-16(19-13)14-7-4-10-21-14/h1-7,10,18H,8-9H2
InChIKeyVOHJGRSRBPHBFC-UHFFFAOYSA-N
XLogP3.93
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661185) is 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1NCCc1ccccc1.
What is the InChIKey of 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is VOHJGRSRBPHBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-11-13-15(18-9-8-12-5-2-1-3-6-12)20-16(19-13)14-7-4-10-21-14/h1-7,10,18H,8-9H2.
What are the key properties of 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 295.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).