N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C16H14N2O2S — CID 16674698

IUPACN-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncoc1-c1cccs1
InChIInChI=1S/C16H14N2O2S/c19-16(17-9-8-12-5-2-1-3-6-12)14-15(20-11-18-14)13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyZASSIGHZOPPWGK-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds5

About N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 16674698) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID16674698
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncoc1-c1cccs1
InChIInChI=1S/C16H14N2O2S/c19-16(17-9-8-12-5-2-1-3-6-12)14-15(20-11-18-14)13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyZASSIGHZOPPWGK-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 16674698) is N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccc1)c1ncoc1-c1cccs1.
What is the InChIKey of N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ZASSIGHZOPPWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(17-9-8-12-5-2-1-3-6-12)14-15(20-11-18-14)13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).