(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid

C16H15FN2O4 — CID 119365486

IUPAC(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN2O4/c17-11-5-3-10(4-6-11)15-18-12(9-23-15)8-14(20)19-7-1-2-13(19)16(21)22/h3-6,9,13H,1-2,7-8H2,(H,21,22)/t13-/m0/s1
InChIKeySIWNVNZDRMRWDF-ZDUSSCGKSA-N
MW318.30 g/mol
LogP2.10
Rot. Bonds4

About (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365486) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119365486
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN2O4/c17-11-5-3-10(4-6-11)15-18-12(9-23-15)8-14(20)19-7-1-2-13(19)16(21)22/h3-6,9,13H,1-2,7-8H2,(H,21,22)/t13-/m0/s1
InChIKeySIWNVNZDRMRWDF-ZDUSSCGKSA-N
XLogP2.10
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 75392995
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 124702286
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51124968
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389
2-[(2S)-1-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-2-yl]acetamide
CID 95160386
3-[(2S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124699674

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 119365486) is (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SIWNVNZDRMRWDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-11-5-3-10(4-6-11)15-18-12(9-23-15)8-14(20)19-7-1-2-13(19)16(21)22/h3-6,9,13H,1-2,7-8H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).