N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine

C14H10F3N3O3S — CID 151819833

About N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine

N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine (PubChem CID 151819833) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine.

Molecular Properties

• Compound Name: N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine
• PubChem CID: 151819833
• Molecular Formula: C14H10F3N3O3S
• Molecular Weight: 357.31 g/mol
• Exact Mass: 357.04
• IUPAC Name: N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine
• SMILES: CON=C(C)c1cc(-c2nccs2)c2ocnc2c1OC(F)(F)F
• InChI: InChI=1S/C14H10F3N3O3S/c1-7(20-21-2)8-5-9(13-18-3-4-24-13)11-10(19-6-22-11)12(8)23-14(15,16)17/h3-6H,1-2H3
• InChIKey: SCJWZOPRLQIQKW-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 69.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.31
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine?

The IUPAC name of N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine (CID 151819833) is N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine.

What is the SMILES notation for N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine?

The canonical SMILES for N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine is CON=C(C)c1cc(-c2nccs2)c2ocnc2c1OC(F)(F)F.

What is the InChIKey of N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine?

The InChIKey is SCJWZOPRLQIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c1-7(20-21-2)8-5-9(13-18-3-4-24-13)11-10(19-6-22-11)12(8)23-14(15,16)17/h3-6H,1-2H3.

What are the key properties of N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine?

N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine has a molecular weight of 357.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-1-[7-(1,3-thiazol-2-yl)-4-(trifluoromethoxy)-1,3-benzoxazol-5-yl]ethanimine is sourced from PubChem (CID 151819833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).