[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C16H15F3N2O4 — CID 129398688

IUPAC[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C16H15F3N2O4/c1-24-14-7-13(25-20-14)15(23)21-8-11(22)6-12(21)9-3-2-4-10(5-9)16(17,18)19/h2-5,7,11-12,22H,6,8H2,1H3/t11-,12-/m0/s1
InChIKeyYTFCISIKZJKREC-RYUDHWBXSA-N
MW356.30 g/mol
LogP2.65
Rot. Bonds3

About [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 129398688) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID129398688
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C16H15F3N2O4/c1-24-14-7-13(25-20-14)15(23)21-8-11(22)6-12(21)9-3-2-4-10(5-9)16(17,18)19/h2-5,7,11-12,22H,6,8H2,1H3/t11-,12-/m0/s1
InChIKeyYTFCISIKZJKREC-RYUDHWBXSA-N
XLogP2.65
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 129381211
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100659637
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 100659503
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 100663465
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129372801
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 100696172
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 97159209
[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100659421
(2R,4R)-4-hydroxy-N-methyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 124622520
(1,5-dimethylpyrrol-2-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129397988
(1,5-dimethylpyrrol-2-yl)-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129397989
(1,3-dimethylpyrazol-4-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 99600988

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 129398688) is [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is YTFCISIKZJKREC-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-24-14-7-13(25-20-14)15(23)21-8-11(22)6-12(21)9-3-2-4-10(5-9)16(17,18)19/h2-5,7,11-12,22H,6,8H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 356.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 129398688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).