(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid

C14H13F3N4O4 — CID 119371453

IUPAC(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1
InChIInChI=1S/C14H13F3N4O4/c15-14(16,17)11-3-5-20(18-11)7-8-6-9(19-25-8)12(22)21-4-1-2-10(21)13(23)24/h3,5-6,10H,1-2,4,7H2,(H,23,24)/t10-/m1/s1
InChIKeyKKJDKIMAODGBFQ-SNVBAGLBSA-N
MW358.28 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371453) has the molecular formula C14H13F3N4O4 and a molecular weight of 358.28 g/mol. Its IUPAC name is (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119371453
Molecular FormulaC14H13F3N4O4
Molecular Weight358.28 g/mol
Exact Mass358.09
IUPAC Name(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1
InChIInChI=1S/C14H13F3N4O4/c15-14(16,17)11-3-5-20(18-11)7-8-6-9(19-25-8)12(22)21-4-1-2-10(21)13(23)24/h3,5-6,10H,1-2,4,7H2,(H,23,24)/t10-/m1/s1
InChIKeyKKJDKIMAODGBFQ-SNVBAGLBSA-N
XLogP1.63
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 119175959
(2S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 124577082
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639521
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377869
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 131962010
5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 64779752
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119371453) is (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cc(Cn2ccc(C(F)(F)F)n2)on1.
What is the InChIKey of (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KKJDKIMAODGBFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13F3N4O4/c15-14(16,17)11-3-5-20(18-11)7-8-6-9(19-25-8)12(22)21-4-1-2-10(21)13(23)24/h3,5-6,10H,1-2,4,7H2,(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 358.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).