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

C18H14F3N3O3 — CID 146461208

IUPACN-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cc2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N3O3/c1-26-14-5-3-2-4-13(14)22-16(25)12-8-6-11(7-9-12)10-15-23-17(27-24-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyNIZBZUKVVSCDIV-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.94
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 146461208) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID146461208
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cc2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H14F3N3O3/c1-26-14-5-3-2-4-13(14)22-16(25)12-8-6-11(7-9-12)10-15-23-17(27-24-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyNIZBZUKVVSCDIV-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 146461208) is N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is COc1ccccc1NC(=O)c1ccc(Cc2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is NIZBZUKVVSCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-26-14-5-3-2-4-13(14)22-16(25)12-8-6-11(7-9-12)10-15-23-17(27-24-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 377.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 146461208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).