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

C19H20F3N3O3 — CID 67953420

IUPAC(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-3-11(2)14-10-16(28-24-14)23-18(27)15-8-9-17(26)25(15)13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,15H,3,8-9H2,1-2H3,(H,23,27)/t11?,15-/m0/s1
InChIKeyPJXHFIYNTXMMKX-MHTVFEQDSA-N
MW395.38 g/mol
LogP4.34
Rot. Bonds5

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

(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 67953420) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID67953420
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C19H20F3N3O3/c1-3-11(2)14-10-16(28-24-14)23-18(27)15-8-9-17(26)25(15)13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,15H,3,8-9H2,1-2H3,(H,23,27)/t11?,15-/m0/s1
InChIKeyPJXHFIYNTXMMKX-MHTVFEQDSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 67953420) is (2S)-N-(3-butan-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-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CCC(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is PJXHFIYNTXMMKX-MHTVFEQDSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-3-11(2)14-10-16(28-24-14)23-18(27)15-8-9-17(26)25(15)13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,15H,3,8-9H2,1-2H3,(H,23,27)/t11?,15-/m0/s1.
What are the key properties of (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-(3-butan-2-yl-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 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).