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

C17H11N3O3S — CID 53143297

IUPAC5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ncoc1-c1ccccc1
InChIInChI=1S/C17H11N3O3S/c21-17(15-16(22-10-18-15)11-4-2-1-3-5-11)19-14-8-13(20-23-14)12-6-7-24-9-12/h1-10H,(H,19,21)
InChIKeyMYIGTPYCGVQUHU-UHFFFAOYSA-N
MW337.36 g/mol
LogP4.31
Rot. Bonds4

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

5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 53143297) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID53143297
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC Name5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(-c2ccsc2)no1)c1ncoc1-c1ccccc1
InChIInChI=1S/C17H11N3O3S/c21-17(15-16(22-10-18-15)11-4-2-1-3-5-11)19-14-8-13(20-23-14)12-6-7-24-9-12/h1-10H,(H,19,21)
InChIKeyMYIGTPYCGVQUHU-UHFFFAOYSA-N
XLogP4.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide (CID 53143297) is 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1cc(-c2ccsc2)no1)c1ncoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is MYIGTPYCGVQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S/c21-17(15-16(22-10-18-15)11-4-2-1-3-5-11)19-14-8-13(20-23-14)12-6-7-24-9-12/h1-10H,(H,19,21).
What are the key properties of 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide?
5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53143297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).