3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C16H15N3O2S — CID 17417569

IUPAC3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3O2S/c1-3-12-14(10(2)21-19-12)15(20)18-16-17-13(9-22-16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,18,20)
InChIKeyQCAHZUOIQMMEAB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.92
Rot. Bonds4

About 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 17417569) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID17417569
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3O2S/c1-3-12-14(10(2)21-19-12)15(20)18-16-17-13(9-22-16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,18,20)
InChIKeyQCAHZUOIQMMEAB-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 17417569) is 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is QCAHZUOIQMMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-12-14(10(2)21-19-12)15(20)18-16-17-13(9-22-16)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,18,20).
What are the key properties of 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17417569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).