N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide

C23H17F3N2O4 — CID 70693298

IUPACN-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21)c1ccccc1
InChIInChI=1S/C23H17F3N2O4/c1-27(17-5-3-2-4-6-17)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-18(11-8-15)32-23(24,25)26/h2-13H,14H2,1H3
InChIKeyLTCRXWYFQBWPGR-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.82
Rot. Bonds5

About N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide

N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide (PubChem CID 70693298) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
PubChem CID70693298
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC NameN-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21)c1ccccc1
InChIInChI=1S/C23H17F3N2O4/c1-27(17-5-3-2-4-6-17)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-18(11-8-15)32-23(24,25)26/h2-13H,14H2,1H3
InChIKeyLTCRXWYFQBWPGR-UHFFFAOYSA-N
XLogP4.82
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70682775
N-(4-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70684858
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
N-(3-chlorophenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70697416
N-methyl-2-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70697418
2-(2-Oxo-benzooxazol-3-yl)-N-o-tolyl-acetamide
CID 893886

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide (CID 70693298) is N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The InChIKey is LTCRXWYFQBWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c1-27(17-5-3-2-4-6-17)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-18(11-8-15)32-23(24,25)26/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide has a molecular weight of 442.39 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 70693298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).