5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide

C21H17N3O2S — CID 86840963

About 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86840963) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 86840963
• Molecular Formula: C21H17N3O2S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.10
• IUPAC Name: 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2s1
• InChI: InChI=1S/C21H17N3O2S/c1-12-22-16-10-9-15(11-17(16)27-12)23-20(25)18-19(13-7-8-13)26-21(24-18)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,23,25)
• InChIKey: GALDIQVKMXXSCK-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 86840963) is 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide is Cc1nc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)cc2s1.

What is the InChIKey of 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is GALDIQVKMXXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-12-22-16-10-9-15(11-17(16)27-12)23-20(25)18-19(13-7-8-13)26-21(24-18)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,23,25).

What are the key properties of 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide?

5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86840963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).