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

C16H15FN2O4 — CID 119258640

IUPAC3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H15FN2O4/c1-10-12(18-13(23-10)11-5-3-2-4-6-11)14(20)19-8-7-16(17,9-19)15(21)22/h2-6H,7-9H2,1H3,(H,21,22)
InChIKeyFAZHPZVNBCMMSM-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.29
Rot. Bonds3

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

3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258640) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258640
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H15FN2O4/c1-10-12(18-13(23-10)11-5-3-2-4-6-11)14(20)19-8-7-16(17,9-19)15(21)22/h2-6H,7-9H2,1H3,(H,21,22)
InChIKeyFAZHPZVNBCMMSM-UHFFFAOYSA-N
XLogP2.29
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258590
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
3-fluoro-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259427
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27259340
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258340
3-fluoro-1-(isoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529797
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099
[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95334340

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258640) is 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid is Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FAZHPZVNBCMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-10-12(18-13(23-10)11-5-3-2-4-6-11)14(20)19-8-7-16(17,9-19)15(21)22/h2-6H,7-9H2,1H3,(H,21,22).
What are the key properties of 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).