5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide

C8H7F3N2O2 — CID 67441950

IUPAC5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)7(1-2-7)5-3-4(6(12)14)13-15-5/h3H,1-2H2,(H2,12,14)
InChIKeyWJPJOSKMGBGTRD-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.37
Rot. Bonds2

About 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide

5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide (PubChem CID 67441950) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
PubChem CID67441950
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)7(1-2-7)5-3-4(6(12)14)13-15-5/h3H,1-2H2,(H2,12,14)
InChIKeyWJPJOSKMGBGTRD-UHFFFAOYSA-N
XLogP1.37
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide (CID 67441950) is 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide is NC(=O)c1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WJPJOSKMGBGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)7(1-2-7)5-3-4(6(12)14)13-15-5/h3H,1-2H2,(H2,12,14).
What are the key properties of 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).