N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide

C19H17N3O3S — CID 16879700

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16879700) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 16879700
• Molecular Formula: C19H17N3O3S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.10
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: CCc1ccc2nc(N(Cc3ccco3)C(=O)c3cc(C)no3)sc2c1
• InChI: InChI=1S/C19H17N3O3S/c1-3-13-6-7-15-17(10-13)26-19(20-15)22(11-14-5-4-8-24-14)18(23)16-9-12(2)21-25-16/h4-10H,3,11H2,1-2H3
• InChIKey: VHEPBPXDNWYROL-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 72.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 16879700) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide is CCc1ccc2nc(N(Cc3ccco3)C(=O)c3cc(C)no3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is VHEPBPXDNWYROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-13-6-7-15-17(10-13)26-19(20-15)22(11-14-5-4-8-24-14)18(23)16-9-12(2)21-25-16/h4-10H,3,11H2,1-2H3.

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16879700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).