5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C14H20N2O4 — CID 107426621

IUPAC5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)C1CC2CCC1C2
InChIInChI=1S/C14H20N2O4/c1-7(10-5-8-2-3-9(10)4-8)15-13(17)12-6-11(14(18)19)16-20-12/h7-10,12H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyWNUPMUXHJYWKCY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.16
Rot. Bonds4

About 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426621) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426621
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)C1CC2CCC1C2
InChIInChI=1S/C14H20N2O4/c1-7(10-5-8-2-3-9(10)4-8)15-13(17)12-6-11(14(18)19)16-20-12/h7-10,12H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyWNUPMUXHJYWKCY-UHFFFAOYSA-N
XLogP1.16
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426621) is 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(NC(=O)C1CC(C(=O)O)=NO1)C1CC2CCC1C2.
What is the InChIKey of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is WNUPMUXHJYWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7(10-5-8-2-3-9(10)4-8)15-13(17)12-6-11(14(18)19)16-20-12/h7-10,12H,2-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).