(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C19H20F3N3O3 — CID 162614759

IUPAC(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-12-9-15(28-24-12)10-17(26)25-8-2-3-16(25)18(27)23-11-13-4-6-14(7-5-13)19(20,21)22/h4-7,9,16H,2-3,8,10-11H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyQHYXLZYZHIKOAW-INIZCTEOSA-N
MW395.38 g/mol
LogP2.85
Rot. Bonds5

About (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 162614759) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID162614759
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-12-9-15(28-24-12)10-17(26)25-8-2-3-16(25)18(27)23-11-13-4-6-14(7-5-13)19(20,21)22/h4-7,9,16H,2-3,8,10-11H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyQHYXLZYZHIKOAW-INIZCTEOSA-N
XLogP2.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 155026976
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
N-[[4-(2-imino-4-oxopentan-3-yl)phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123312848
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94592974
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
CID 142573256
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 76531936
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146357956
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358308
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357842

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 162614759) is (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QHYXLZYZHIKOAW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-9-15(28-24-12)10-17(26)25-8-2-3-16(25)18(27)23-11-13-4-6-14(7-5-13)19(20,21)22/h4-7,9,16H,2-3,8,10-11H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162614759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).