N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H19FN2O4S — CID 163380794

About N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380794) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163380794
• Molecular Formula: C19H19FN2O4S
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.10
• IUPAC Name: N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncc(COc2ccc3oc(C)c(C(=O)NCC4(F)COC4)c3c2)s1
• InChI: InChI=1S/C19H19FN2O4S/c1-11-17(18(23)22-8-19(20)9-24-10-19)15-5-13(3-4-16(15)26-11)25-7-14-6-21-12(2)27-14/h3-6H,7-10H2,1-2H3,(H,22,23)
• InChIKey: DTODRQRJOOAOME-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380794) is N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NCC4(F)COC4)c3c2)s1.

What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is DTODRQRJOOAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-11-17(18(23)22-8-19(20)9-24-10-19)15-5-13(3-4-16(15)26-11)25-7-14-6-21-12(2)27-14/h3-6H,7-10H2,1-2H3,(H,22,23).

What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).