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

C13H12F3N3O3 — CID 51075427

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCC(F)(F)F)no1
InChIInChI=1S/C13H12F3N3O3/c1-8-18-11(19-22-8)6-21-10-5-3-2-4-9(10)12(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyRVGGNPJFIJJBPN-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.25
Rot. Bonds5

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51075427) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51075427
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCC(F)(F)F)no1
InChIInChI=1S/C13H12F3N3O3/c1-8-18-11(19-22-8)6-21-10-5-3-2-4-9(10)12(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyRVGGNPJFIJJBPN-UHFFFAOYSA-N
XLogP2.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 134011702
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 31315011
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012297
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31311912
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 134012276

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide (CID 51075427) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide is Cc1nc(COc2ccccc2C(=O)NCC(F)(F)F)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RVGGNPJFIJJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-8-18-11(19-22-8)6-21-10-5-3-2-4-9(10)12(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 315.25 g/mol, XLogP of 2.25, 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-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51075427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).