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

C15H11N3OS — CID 661217

IUPAC5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCc1ccccc1
InChIInChI=1S/C15H11N3OS/c16-9-12-14(17-10-11-5-2-1-3-6-11)19-15(18-12)13-7-4-8-20-13/h1-8,17H,10H2
InChIKeyYOQKYBGLBXCXSE-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.89
Rot. Bonds4

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

5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 661217) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID661217
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1NCc1ccccc1
InChIInChI=1S/C15H11N3OS/c16-9-12-14(17-10-11-5-2-1-3-6-11)19-15(18-12)13-7-4-8-20-13/h1-8,17H,10H2
InChIKeyYOQKYBGLBXCXSE-UHFFFAOYSA-N
XLogP3.89
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 661217) is 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YOQKYBGLBXCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-9-12-14(17-10-11-5-2-1-3-6-11)19-15(18-12)13-7-4-8-20-13/h1-8,17H,10H2.
What are the key properties of 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).