N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine

C20H22FN3O3 — CID 55500166

IUPACN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine
SMILESCCOc1ccccc1-c1noc(CN(C)CCOc2ccccc2F)n1
InChIInChI=1S/C20H22FN3O3/c1-3-25-17-10-6-4-8-15(17)20-22-19(27-23-20)14-24(2)12-13-26-18-11-7-5-9-16(18)21/h4-11H,3,12-14H2,1-2H3
InChIKeyPVNMOPCNSOPBHP-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.79
Rot. Bonds9

About N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine

N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine (PubChem CID 55500166) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine
PubChem CID55500166
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine
SMILESCCOc1ccccc1-c1noc(CN(C)CCOc2ccccc2F)n1
InChIInChI=1S/C20H22FN3O3/c1-3-25-17-10-6-4-8-15(17)20-22-19(27-23-20)14-24(2)12-13-26-18-11-7-5-9-16(18)21/h4-11H,3,12-14H2,1-2H3
InChIKeyPVNMOPCNSOPBHP-UHFFFAOYSA-N
XLogP3.79
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine with MolForge

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Related Compounds

N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)ethanesulfonamide
CID 5305187
4-[(1R)-1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 26238586
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 27122658
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 115279656
2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-benzoxazole
CID 18135962
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine?
The IUPAC name of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine (CID 55500166) is N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine.
What is the SMILES notation for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine?
The canonical SMILES for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine is CCOc1ccccc1-c1noc(CN(C)CCOc2ccccc2F)n1.
What is the InChIKey of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine?
The InChIKey is PVNMOPCNSOPBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-25-17-10-6-4-8-15(17)20-22-19(27-23-20)14-24(2)12-13-26-18-11-7-5-9-16(18)21/h4-11H,3,12-14H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine?
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine has a molecular weight of 371.41 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)-N-methylethanamine is sourced from PubChem (CID 55500166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).