4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide

C17H15F3N2O3 — CID 46948333

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)NCCC(F)(F)F)c2occc12
InChIInChI=1S/C17H15F3N2O3/c1-9-14(10(2)25-22-9)11-3-4-13(15-12(11)5-8-24-15)16(23)21-7-6-17(18,19)20/h3-5,8H,6-7H2,1-2H3,(H,21,23)
InChIKeyDUFAORZTGORJPD-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.39
Rot. Bonds4

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide (PubChem CID 46948333) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide
PubChem CID46948333
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)NCCC(F)(F)F)c2occc12
InChIInChI=1S/C17H15F3N2O3/c1-9-14(10(2)25-22-9)11-3-4-13(15-12(11)5-8-24-15)16(23)21-7-6-17(18,19)20/h3-5,8H,6-7H2,1-2H3,(H,21,23)
InChIKeyDUFAORZTGORJPD-UHFFFAOYSA-N
XLogP4.39
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide (CID 46948333) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide is Cc1noc(C)c1-c1ccc(C(=O)NCCC(F)(F)F)c2occc12.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide?
The InChIKey is DUFAORZTGORJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-9-14(10(2)25-22-9)11-3-4-13(15-12(11)5-8-24-15)16(23)21-7-6-17(18,19)20/h3-5,8H,6-7H2,1-2H3,(H,21,23).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3,3-trifluoropropyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).