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

C19H20F3N3O4 — CID 67953418

IUPAC(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CO)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O4/c1-18(2,10-26)14-9-15(29-24-14)23-17(28)13-7-8-16(27)25(13)12-5-3-11(4-6-12)19(20,21)22/h3-6,9,13,26H,7-8,10H2,1-2H3,(H,23,28)/t13-/m0/s1
InChIKeyZHUOZQGWUQTNDE-ZDUSSCGKSA-N
MW411.38 g/mol
LogP3.10
Rot. Bonds5

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

(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 67953418) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID67953418
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Name(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(CO)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O4/c1-18(2,10-26)14-9-15(29-24-14)23-17(28)13-7-8-16(27)25(13)12-5-3-11(4-6-12)19(20,21)22/h3-6,9,13,26H,7-8,10H2,1-2H3,(H,23,28)/t13-/m0/s1
InChIKeyZHUOZQGWUQTNDE-ZDUSSCGKSA-N
XLogP3.10
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 67953418) is (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(CO)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZHUOZQGWUQTNDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-18(2,10-26)14-9-15(29-24-14)23-17(28)13-7-8-16(27)25(13)12-5-3-11(4-6-12)19(20,21)22/h3-6,9,13,26H,7-8,10H2,1-2H3,(H,23,28)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 411.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).