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

C11H8F3N3O2 — CID 19847727

IUPACN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H8F3N3O2/c1-6(18)15-8-4-2-7(3-5-8)9-16-10(19-17-9)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyGLUXFGVTIKSLJR-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.71
Rot. Bonds2

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

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 19847727) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID19847727
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H8F3N3O2/c1-6(18)15-8-4-2-7(3-5-8)9-16-10(19-17-9)11(12,13)14/h2-5H,1H3,(H,15,18)
InChIKeyGLUXFGVTIKSLJR-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 145340178
4-methyl-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoylamino]pentanoic acid
CID 122078908
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 19847727) is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is GLUXFGVTIKSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6(18)15-8-4-2-7(3-5-8)9-16-10(19-17-9)11(12,13)14/h2-5H,1H3,(H,15,18).
What are the key properties of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 271.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 19847727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).