(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C19H20F3N3O3 — CID 67953330

IUPAC(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)/t13-/m0/s1
InChIKeyGQCPYMUOLFAADB-ZDUSSCGKSA-N
MW395.38 g/mol
LogP4.12
Rot. Bonds3

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

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 67953330) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID67953330
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)/t13-/m0/s1
InChIKeyGQCPYMUOLFAADB-ZDUSSCGKSA-N
XLogP4.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-cyanophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843358
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46843431
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953246
(S)-5-oxo-1-(4-trifluoromethyl-phenyl)-pyrrolidine-2-carboxylic acid [3-(2-hydroxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-amide
CID 67953418
(2S)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953425
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
CID 164536838
3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 24981553
1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
US11014912, Example 6
CID 153311693
1-Pyrrolidinepropanamide, N-(3-phenyl-5-isoxazolyl)-
CID 3070614
5-Isoxazolamine, N-(1-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-
CID 55531
N-(3-Phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 216897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 67953330) is (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GQCPYMUOLFAADB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).