2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C14H8F3N3O3 — CID 766025

IUPAC2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13(21)18-9-5-3-8(4-6-9)11-19-20-12(23-11)10-2-1-7-22-10/h1-7H,(H,18,21)
InChIKeyXMPHDOHNKVKMNX-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.50
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 766025) has the molecular formula C14H8F3N3O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID766025
Molecular FormulaC14H8F3N3O3
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)13(21)18-9-5-3-8(4-6-9)11-19-20-12(23-11)10-2-1-7-22-10/h1-7H,(H,18,21)
InChIKeyXMPHDOHNKVKMNX-UHFFFAOYSA-N
XLogP3.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[4-(furan-2-yl)phenyl]acetamide
CID 168525338
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 1364622
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1300223
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
3-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-2-carboxamide
CID 142440398
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]benzamide
CID 142440284
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 766025) is 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is XMPHDOHNKVKMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3/c15-14(16,17)13(21)18-9-5-3-8(4-6-9)11-19-20-12(23-11)10-2-1-7-22-10/h1-7H,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 323.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 766025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).