(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide

C23H24F3N3O2 — CID 68767800

IUPAC(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cc(C)no1)c1ccccc1
InChIInChI=1S/C23H24F3N3O2/c1-15-14-20(31-29-15)19(13-10-16-8-11-18(12-9-16)23(24,25)26)28-21(22(30)27-2)17-6-4-3-5-7-17/h3-9,11-12,14,19,21,28H,10,13H2,1-2H3,(H,27,30)/t19-,21+/m1/s1
InChIKeyGRVKRSDVKKZZPR-CTNGQTDRSA-N
MW431.46 g/mol
LogP4.75
Rot. Bonds8

About (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide

(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide (PubChem CID 68767800) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
PubChem CID68767800
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cc(C)no1)c1ccccc1
InChIInChI=1S/C23H24F3N3O2/c1-15-14-20(31-29-15)19(13-10-16-8-11-18(12-9-16)23(24,25)26)28-21(22(30)27-2)17-6-4-3-5-7-17/h3-9,11-12,14,19,21,28H,10,13H2,1-2H3,(H,27,30)/t19-,21+/m1/s1
InChIKeyGRVKRSDVKKZZPR-CTNGQTDRSA-N
XLogP4.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68763476
(2S)-2-[[(1S)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769293
(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769278
(2R)-2-[[1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 162541004
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
(2S)-2-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90781931
(2S)-2-[[(1S)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90804133
(2R)-2-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553827
(2R)-2-[[(1R)-1-(2-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553802
(2S)-N-methyl-2-[[(1R)-1-(2-methyl-1,3-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide
CID 68767339
2-[[(1S)-1-(6-chloro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 87566254
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide (CID 68767800) is (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide is CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cc(C)no1)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide?
The InChIKey is GRVKRSDVKKZZPR-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15-14-20(31-29-15)19(13-10-16-8-11-18(12-9-16)23(24,25)26)28-21(22(30)27-2)17-6-4-3-5-7-17/h3-9,11-12,14,19,21,28H,10,13H2,1-2H3,(H,27,30)/t19-,21+/m1/s1.
What are the key properties of (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide?
(2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide has a molecular weight of 431.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[(1R)-1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 68767800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).