N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline

C18H16F3N3O2 — CID 78902293

IUPACN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1nc(-c2ccccc2OC(F)F)no1)c1cccc(F)c1
InChIInChI=1S/C18H16F3N3O2/c1-2-24(13-7-5-6-12(19)10-13)11-16-22-17(23-26-16)14-8-3-4-9-15(14)25-18(20)21/h3-10,18H,2,11H2,1H3
InChIKeyLWPZVNQPJZNRJV-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.50
Rot. Bonds7

About N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline

N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline (PubChem CID 78902293) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
PubChem CID78902293
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1nc(-c2ccccc2OC(F)F)no1)c1cccc(F)c1
InChIInChI=1S/C18H16F3N3O2/c1-2-24(13-7-5-6-12(19)10-13)11-16-22-17(23-26-16)14-8-3-4-9-15(14)25-18(20)21/h3-10,18H,2,11H2,1H3
InChIKeyLWPZVNQPJZNRJV-UHFFFAOYSA-N
XLogP4.50
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 78815340
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 78899357
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 78816833
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544
4-[1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78815560
3-[2-(difluoromethoxy)phenyl]-5-[[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78898930
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 78850653
N-[(4-chlorophenyl)methyl]-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 78899478
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
CID 78820649
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804
2-[[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78821365

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline (CID 78902293) is N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline is CCN(Cc1nc(-c2ccccc2OC(F)F)no1)c1cccc(F)c1.
What is the InChIKey of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is LWPZVNQPJZNRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-2-24(13-7-5-6-12(19)10-13)11-16-22-17(23-26-16)14-8-3-4-9-15(14)25-18(20)21/h3-10,18H,2,11H2,1H3.
What are the key properties of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline?
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 363.34 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 78902293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).