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

C23H17F3N2O3 — CID 70682775

IUPACN-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccc(C(F)(F)F)c3)cc21)c1ccccc1
InChIInChI=1S/C23H17F3N2O3/c1-27(18-8-3-2-4-9-18)21(29)14-28-19-13-16(10-11-20(19)31-22(28)30)15-6-5-7-17(12-15)23(24,25)26/h2-13H,14H2,1H3
InChIKeyJNRLZNHVTRBEKP-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.94
Rot. Bonds4

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

N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide (PubChem CID 70682775) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
PubChem CID70682775
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC NameN-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccc(C(F)(F)F)c3)cc21)c1ccccc1
InChIInChI=1S/C23H17F3N2O3/c1-27(18-8-3-2-4-9-18)21(29)14-28-19-13-16(10-11-20(19)31-22(28)30)15-6-5-7-17(12-15)23(24,25)26/h2-13H,14H2,1H3
InChIKeyJNRLZNHVTRBEKP-UHFFFAOYSA-N
XLogP4.94
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
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-(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
3-[2-(Methylphenylamino)-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]benzoxazole-2(3H)-one
CID 70693298
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
N-(3,4-Dimethyl-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 969749

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide (CID 70682775) is N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3cccc(C(F)(F)F)c3)cc21)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
The InChIKey is JNRLZNHVTRBEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c1-27(18-8-3-2-4-9-18)21(29)14-28-19-13-16(10-11-20(19)31-22(28)30)15-6-5-7-17(12-15)23(24,25)26/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide?
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide has a molecular weight of 426.39 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 70682775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).