2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

C17H13F3N2O3 — CID 91676818

IUPAC2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-9-7-11(21-16(23)17(18,19)20)8-13-14(9)25-15(22-13)10-3-5-12(24-2)6-4-10/h3-8H,1-2H3,(H,21,23)
InChIKeyUZZCYAXSBBXSPT-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.31
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (PubChem CID 91676818) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
PubChem CID91676818
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-9-7-11(21-16(23)17(18,19)20)8-13-14(9)25-15(22-13)10-3-5-12(24-2)6-4-10/h3-8H,1-2H3,(H,21,23)
InChIKeyUZZCYAXSBBXSPT-UHFFFAOYSA-N
XLogP4.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676679
2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91683568
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 9203602
2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683567
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-yl]-2,2,2-trifluoroacetamide
CID 91676785
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (CID 91676818) is 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is UZZCYAXSBBXSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-9-7-11(21-16(23)17(18,19)20)8-13-14(9)25-15(22-13)10-3-5-12(24-2)6-4-10/h3-8H,1-2H3,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 350.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 91676818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).