5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C12H11FN2O4 — CID 107427065

IUPAC5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)=NO1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O4/c1-15(8-4-2-7(13)3-5-8)11(16)10-6-9(12(17)18)14-19-10/h2-5,10H,6H2,1H3,(H,17,18)
InChIKeyCNQLCGOUWZKEPA-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.02
Rot. Bonds3

About 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427065) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427065
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)=NO1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O4/c1-15(8-4-2-7(13)3-5-8)11(16)10-6-9(12(17)18)14-19-10/h2-5,10H,6H2,1H3,(H,17,18)
InChIKeyCNQLCGOUWZKEPA-UHFFFAOYSA-N
XLogP1.02
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427065) is 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CN(C(=O)C1CC(C(=O)O)=NO1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is CNQLCGOUWZKEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-15(8-4-2-7(13)3-5-8)11(16)10-6-9(12(17)18)14-19-10/h2-5,10H,6H2,1H3,(H,17,18).
What are the key properties of 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 266.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).