5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C23H17N5O3S — CID 39041608

About 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 39041608) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 39041608
• Molecular Formula: C23H17N5O3S
• Molecular Weight: 443.49 g/mol
• Exact Mass: 443.11
• IUPAC Name: 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(-c4nc(-c5ccccc5)no4)s3)no2)cc1
• InChI: InChI=1S/C23H17N5O3S/c1-13-8-10-15(11-9-13)18-12-17(27-30-18)21(29)26-23-24-14(2)19(32-23)22-25-20(28-31-22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,26,29)
• InChIKey: SSTRUJIJOOXFOT-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 106.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.49
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 39041608) is 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(-c4nc(-c5ccccc5)no4)s3)no2)cc1.

What is the InChIKey of 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is SSTRUJIJOOXFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c1-13-8-10-15(11-9-13)18-12-17(27-30-18)21(29)26-23-24-14(2)19(32-23)22-25-20(28-31-22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,26,29).

What are the key properties of 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39041608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).