5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide

C13H9N3O2S — CID 16949631

IUPAC5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C13H9N3O2S/c17-11(16-13-14-6-7-19-13)12-15-8-10(18-12)9-4-2-1-3-5-9/h1-8H,(H,14,16,17)
InChIKeyJWANYIPCCHHQRP-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.05
Rot. Bonds3

About 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide

5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide (PubChem CID 16949631) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
PubChem CID16949631
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C13H9N3O2S/c17-11(16-13-14-6-7-19-13)12-15-8-10(18-12)9-4-2-1-3-5-9/h1-8H,(H,14,16,17)
InChIKeyJWANYIPCCHHQRP-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide (CID 16949631) is 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide is O=C(Nc1nccs1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is JWANYIPCCHHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-11(16-13-14-6-7-19-13)12-15-8-10(18-12)9-4-2-1-3-5-9/h1-8H,(H,14,16,17).
What are the key properties of 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide?
5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16949631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).