(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid

C15H15FN2O3 — CID 140546797

IUPAC(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid
SMILESCc1ccc(F)c(-c2cc([C@H]3CCCN3C(=O)O)no2)c1
InChIInChI=1S/C15H15FN2O3/c1-9-4-5-11(16)10(7-9)14-8-12(17-21-14)13-3-2-6-18(13)15(19)20/h4-5,7-8,13H,2-3,6H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyHKQZYRFLGPKADF-CYBMUJFWSA-N
MW290.29 g/mol
LogP3.60
Rot. Bonds2

About (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid

(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid (PubChem CID 140546797) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid
PubChem CID140546797
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid
SMILESCc1ccc(F)c(-c2cc([C@H]3CCCN3C(=O)O)no2)c1
InChIInChI=1S/C15H15FN2O3/c1-9-4-5-11(16)10(7-9)14-8-12(17-21-14)13-3-2-6-18(13)15(19)20/h4-5,7-8,13H,2-3,6H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyHKQZYRFLGPKADF-CYBMUJFWSA-N
XLogP3.60
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[5-(2,5-difluorophenyl)-1,2-oxazol-3-yl]-N-methylpyrrolidine-1-carboximidothioate
CID 59006704
(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
CID 141188442
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2R)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]azepan-1-yl]methanone
CID 92605364
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
(3-methylphenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95052029
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid (CID 140546797) is (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid is Cc1ccc(F)c(-c2cc([C@H]3CCCN3C(=O)O)no2)c1.
What is the InChIKey of (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is HKQZYRFLGPKADF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-4-5-11(16)10(7-9)14-8-12(17-21-14)13-3-2-6-18(13)15(19)20/h4-5,7-8,13H,2-3,6H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid?
(2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2-fluoro-5-methylphenyl)-1,2-oxazol-3-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 140546797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).