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

C17H17F3N2O3 — CID 129372801

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H17F3N2O3/c1-9-15(25-10(2)21-9)16(24)22-8-13(23)7-14(22)11-4-3-5-12(6-11)17(18,19)20/h3-6,13-14,23H,7-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyDCQQAZWQISVJDL-KGLIPLIRSA-N
MW354.33 g/mol
LogP3.26
Rot. Bonds2

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 129372801) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID129372801
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H17F3N2O3/c1-9-15(25-10(2)21-9)16(24)22-8-13(23)7-14(22)11-4-3-5-12(6-11)17(18,19)20/h3-6,13-14,23H,7-8H2,1-2H3/t13-,14+/m1/s1
InChIKeyDCQQAZWQISVJDL-KGLIPLIRSA-N
XLogP3.26
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrrol-2-yl)-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129397989
(1,5-dimethylpyrrol-2-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129397988
[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 167881388
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 100663465
(1,3-dimethylpyrazol-4-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 99600988
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 97159209
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 100659503
(1,3-dimethylpyrrol-2-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129400519
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 100696172
[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100659421
[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100659637
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 129398688

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 129372801) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is DCQQAZWQISVJDL-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-9-15(25-10(2)21-9)16(24)22-8-13(23)7-14(22)11-4-3-5-12(6-11)17(18,19)20/h3-6,13-14,23H,7-8H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129372801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).