2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone

C20H23F3N2O2 — CID 152892662

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)18-12-14(24-27-18)11-17(26)16-5-4-10-25(16)15-8-6-13(7-9-15)20(21,22)23/h6-9,12,16H,4-5,10-11H2,1-3H3/t16-/m1/s1
InChIKeyUDTAFABQPGBWKX-MRXNPFEDSA-N
MW380.41 g/mol
LogP4.77
Rot. Bonds4

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone (PubChem CID 152892662) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone
PubChem CID152892662
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)18-12-14(24-27-18)11-17(26)16-5-4-10-25(16)15-8-6-13(7-9-15)20(21,22)23/h6-9,12,16H,4-5,10-11H2,1-3H3/t16-/m1/s1
InChIKeyUDTAFABQPGBWKX-MRXNPFEDSA-N
XLogP4.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone (CID 152892662) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone is CC(C)(C)c1cc(CC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone?
The InChIKey is UDTAFABQPGBWKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-19(2,3)18-12-14(24-27-18)11-17(26)16-5-4-10-25(16)15-8-6-13(7-9-15)20(21,22)23/h6-9,12,16H,4-5,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone has a molecular weight of 380.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 152892662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).