1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H11F3N2O4 — CID 66334789

IUPAC1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O4/c1-6-4-15-20-7(6)8(17)16-3-2-10(5-16,9(18)19)11(12,13)14/h4H,2-3,5H2,1H3,(H,18,19)
InChIKeyLHGKTCUYGJMVGR-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.46
Rot. Bonds2

About 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 66334789) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID66334789
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O4/c1-6-4-15-20-7(6)8(17)16-3-2-10(5-16,9(18)19)11(12,13)14/h4H,2-3,5H2,1H3,(H,18,19)
InChIKeyLHGKTCUYGJMVGR-UHFFFAOYSA-N
XLogP1.46
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 115875321
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150
(3S)-1-(1,5-dimethylpyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 129379117
1-(5-chloropyrazine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107371538
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107589209
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66336316
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
1-(1,2-oxazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709463
1-(2-pyrazol-1-ylpropanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708349
1-(piperazine-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710714
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 66334789) is 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cc1cnoc1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LHGKTCUYGJMVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6-4-15-20-7(6)8(17)16-3-2-10(5-16,9(18)19)11(12,13)14/h4H,2-3,5H2,1H3,(H,18,19).
What are the key properties of 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 292.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66334789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).