N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C14H16N4O3S — CID 90511602

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511602) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
• PubChem CID: 90511602
• Molecular Formula: C14H16N4O3S
• Molecular Weight: 320.37 g/mol
• Exact Mass: 320.09
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CC(C(=O)Nc3nc(C)c(C)s3)C2)no1
• InChI: InChI=1S/C14H16N4O3S/c1-7-4-11(17-21-7)13(20)18-5-10(6-18)12(19)16-14-15-8(2)9(3)22-14/h4,10H,5-6H2,1-3H3,(H,15,16,19)
• InChIKey: NLBITVSFPSVZSA-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.37
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511602) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3nc(C)c(C)s3)C2)no1.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?

The InChIKey is NLBITVSFPSVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-7-4-11(17-21-7)13(20)18-5-10(6-18)12(19)16-14-15-8(2)9(3)22-14/h4,10H,5-6H2,1-3H3,(H,15,16,19).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).