2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C17H14F3N3O2S — CID 9197708

IUPAC2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H14F3N3O2S/c1-23(7-10-9-25-17(21-10)13-3-2-6-26-13)8-14(24)22-12-5-4-11(18)15(19)16(12)20/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyZUNKLUVVQARNJV-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.89
Rot. Bonds6

About 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9197708) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9197708
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H14F3N3O2S/c1-23(7-10-9-25-17(21-10)13-3-2-6-26-13)8-14(24)22-12-5-4-11(18)15(19)16(12)20/h2-6,9H,7-8H2,1H3,(H,22,24)
InChIKeyZUNKLUVVQARNJV-UHFFFAOYSA-N
XLogP3.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9197708) is 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ZUNKLUVVQARNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-23(7-10-9-25-17(21-10)13-3-2-6-26-13)8-14(24)22-12-5-4-11(18)15(19)16(12)20/h2-6,9H,7-8H2,1H3,(H,22,24).
What are the key properties of 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 381.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9197708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).