2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine

C13H16FN3O2 — CID 107692730

IUPAC2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
SMILESCCc1noc(COc2ccc(CCN)cc2F)n1
InChIInChI=1S/C13H16FN3O2/c1-2-12-16-13(19-17-12)8-18-11-4-3-9(5-6-15)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyCNHIQYHNJMPXOU-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.85
Rot. Bonds6

About 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 107692730) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID107692730
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
SMILESCCc1noc(COc2ccc(CCN)cc2F)n1
InChIInChI=1S/C13H16FN3O2/c1-2-12-16-13(19-17-12)8-18-11-4-3-9(5-6-15)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyCNHIQYHNJMPXOU-UHFFFAOYSA-N
XLogP1.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
5-[(2,4-difluorophenoxy)methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 72907937
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882467
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 60881866
(1R)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63368171
N-[[3-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107687311
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242
N-[[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63046381
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716111

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine (CID 107692730) is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine is CCc1noc(COc2ccc(CCN)cc2F)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is CNHIQYHNJMPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-2-12-16-13(19-17-12)8-18-11-4-3-9(5-6-15)7-10(11)14/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine?
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine has a molecular weight of 265.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 107692730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).