2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C13H10F3N3O3 — CID 52907922

IUPAC2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCC(F)(F)F)co1)c1ccccc1
InChIInChI=1S/C13H10F3N3O3/c14-13(15,16)7-17-11(21)9-6-22-12(18-9)19-10(20)8-4-2-1-3-5-8/h1-6H,7H2,(H,17,21)(H,18,19,20)
InChIKeyAVZYNSGAKNBVTJ-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.22
Rot. Bonds4

About 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52907922) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID52907922
Molecular FormulaC13H10F3N3O3
Molecular Weight313.23 g/mol
Exact Mass313.07
IUPAC Name2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCC(F)(F)F)co1)c1ccccc1
InChIInChI=1S/C13H10F3N3O3/c14-13(15,16)7-17-11(21)9-6-22-12(18-9)19-10(20)8-4-2-1-3-5-8/h1-6H,7H2,(H,17,21)(H,18,19,20)
InChIKeyAVZYNSGAKNBVTJ-UHFFFAOYSA-N
XLogP2.22
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 52907922) is 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NCC(F)(F)F)co1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AVZYNSGAKNBVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c14-13(15,16)7-17-11(21)9-6-22-12(18-9)19-10(20)8-4-2-1-3-5-8/h1-6H,7H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).