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

C18H14F3N3O3 — CID 31301441

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H14F3N3O3/c1-11-22-16(24-27-11)10-26-15-8-3-2-7-14(15)17(25)23-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyJSJPUDZFBBVDAN-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.23
Rot. Bonds5

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 31301441) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID31301441
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H14F3N3O3/c1-11-22-16(24-27-11)10-26-15-8-3-2-7-14(15)17(25)23-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyJSJPUDZFBBVDAN-UHFFFAOYSA-N
XLogP4.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 31301441) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JSJPUDZFBBVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-22-16(24-27-11)10-26-15-8-3-2-7-14(15)17(25)23-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 377.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 31301441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).