(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide

C19H16F3N3O3 — CID 40804812

IUPAC(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc(-c2ccc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C19H16F3N3O3/c1-11(18(26)24-15-5-3-4-14(10-15)19(20,21)22)27-16-8-6-13(7-9-16)17-23-12(2)28-25-17/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1
InChIKeyVWPYLFMCRLUGLG-NSHDSACASA-N
MW391.35 g/mol
LogP4.47
Rot. Bonds5

About (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide

(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 40804812) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID40804812
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1nc(-c2ccc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C19H16F3N3O3/c1-11(18(26)24-15-5-3-4-14(10-15)19(20,21)22)27-16-8-6-13(7-9-16)17-23-12(2)28-25-17/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1
InChIKeyVWPYLFMCRLUGLG-NSHDSACASA-N
XLogP4.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide 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

(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4137017
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 40804812) is (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1nc(-c2ccc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1.
What is the InChIKey of (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VWPYLFMCRLUGLG-NSHDSACASA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-11(18(26)24-15-5-3-4-14(10-15)19(20,21)22)27-16-8-6-13(7-9-16)17-23-12(2)28-25-17/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 391.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 40804812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).