2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C11H10F3N3O2 — CID 139383369

IUPAC2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-9(17-19-10)7-3-1-6(2-4-7)5-8(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17)
InChIKeyJRNCHOSXVNGUER-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.88
Rot. Bonds3

About 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide

2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 139383369) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID139383369
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-9(17-19-10)7-3-1-6(2-4-7)5-8(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17)
InChIKeyJRNCHOSXVNGUER-UHFFFAOYSA-N
XLogP0.88
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[N-oxo-N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 123213679
4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 130179772
4-[[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 139383755
4-[5-(Difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 139473661
[4-[5-(Difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 139473721
[4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 142232117
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 144507678
Ethane;2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 145572467
2,2-difluoro-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylacetamide
CID 153527485
N-hydroxy-4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 156479979
4-[5-[Difluoro(phosphanyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 170195998
4-[N-methoxy-N'-(trifluoromethyl)carbamimidoyl]benzamide
CID 173951025

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 139383369) is 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide is NC(=O)Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is JRNCHOSXVNGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-9(17-19-10)7-3-1-6(2-4-7)5-8(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 273.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 139383369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).