N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

C11H8F3N3O3 — CID 47045451

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1noc(NC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O3/c1-6-15-10(20-17-6)16-9(18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyWMHXWPPLCJLKIX-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.53
Rot. Bonds3

About N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 47045451) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID47045451
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1noc(NC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O3/c1-6-15-10(20-17-6)16-9(18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyWMHXWPPLCJLKIX-UHFFFAOYSA-N
XLogP2.53
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 47045444
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-ethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 164839635
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 47045451) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is Cc1noc(NC(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is WMHXWPPLCJLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-6-15-10(20-17-6)16-9(18)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H3,(H,15,16,17,18).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 287.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 47045451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).