5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C11H7F3N2O2 — CID 2739759

IUPAC5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)16-5-18-9/h1-5H,(H2,15,17)
InChIKeyMBXAIPXAAXAWIJ-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.46
Rot. Bonds2

About 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 2739759) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID2739759
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)16-5-18-9/h1-5H,(H2,15,17)
InChIKeyMBXAIPXAAXAWIJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 2739759) is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MBXAIPXAAXAWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)16-5-18-9/h1-5H,(H2,15,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 256.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2739759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).