N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

C14H18FN3O2 — CID 84598310

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCCc1nc(CNC(C)c2cc(F)ccc2OC)no1
InChIInChI=1S/C14H18FN3O2/c1-4-14-17-13(18-20-14)8-16-9(2)11-7-10(15)5-6-12(11)19-3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyMXRBCEXGXPIHTP-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.63
Rot. Bonds6

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 84598310) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID84598310
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCCc1nc(CNC(C)c2cc(F)ccc2OC)no1
InChIInChI=1S/C14H18FN3O2/c1-4-14-17-13(18-20-14)8-16-9(2)11-7-10(15)5-6-12(11)19-3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyMXRBCEXGXPIHTP-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065863
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103912882
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 64540777
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-ethoxyphenyl)ethanamine;dihydrochloride
CID 155819724
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 84598310) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is CCc1nc(CNC(C)c2cc(F)ccc2OC)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is MXRBCEXGXPIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-4-14-17-13(18-20-14)8-16-9(2)11-7-10(15)5-6-12(11)19-3/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 84598310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).