[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C18H19F3N2O2 — CID 92877733

IUPAC[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H19F3N2O2/c1-11(2)14-10-16(25-22-14)15-7-4-8-23(15)17(24)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1
InChIKeyMQOYARLAVSRTJL-OAHLLOKOSA-N
MW352.36 g/mol
LogP4.79
Rot. Bonds3

About [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 92877733) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID92877733
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H19F3N2O2/c1-11(2)14-10-16(25-22-14)15-7-4-8-23(15)17(24)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1
InChIKeyMQOYARLAVSRTJL-OAHLLOKOSA-N
XLogP4.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 95052006
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4212102
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044050
(1-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
2-(2-fluorophenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893784
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586684
(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079858

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 92877733) is [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is CC(C)c1cc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MQOYARLAVSRTJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-11(2)14-10-16(25-22-14)15-7-4-8-23(15)17(24)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 352.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 92877733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).