5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H9F3N2O4 — CID 106216685

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)8(1-2-8)13-6(15)5-3-4(7(16)17)14-18-5/h5H,1-3H2,(H,13,15)(H,16,17)
InChIKeyXETCJHRYPARPDT-UHFFFAOYSA-N
MW266.17 g/mol
LogP0.43
Rot. Bonds3

About 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 106216685) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID106216685
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)8(1-2-8)13-6(15)5-3-4(7(16)17)14-18-5/h5H,1-3H2,(H,13,15)(H,16,17)
InChIKeyXETCJHRYPARPDT-UHFFFAOYSA-N
XLogP0.43
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 106216685) is 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)NC2(C(F)(F)F)CC2)C1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XETCJHRYPARPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c10-9(11,12)8(1-2-8)13-6(15)5-3-4(7(16)17)14-18-5/h5H,1-3H2,(H,13,15)(H,16,17).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 266.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106216685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).