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

C14H19N3O2 — CID 63640960

IUPAC1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCc1nc(COc2cc(C)ccc2C(C)N)no1
InChIInChI=1S/C14H19N3O2/c1-4-14-16-13(17-19-14)8-18-12-7-9(2)5-6-11(12)10(3)15/h5-7,10H,4,8,15H2,1-3H3
InChIKeyPQORQOOJMSEBEV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds5

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

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 63640960) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
PubChem CID63640960
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
SMILESCCc1nc(COc2cc(C)ccc2C(C)N)no1
InChIInChI=1S/C14H19N3O2/c1-4-14-16-13(17-19-14)8-18-12-7-9(2)5-6-11(12)10(3)15/h5-7,10H,4,8,15H2,1-3H3
InChIKeyPQORQOOJMSEBEV-UHFFFAOYSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
(1R)-1-[4-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63650708
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220
(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78936141
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]butan-2-amine
CID 63326210
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 63322856
(1R)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63368171
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine (CID 63640960) is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine is CCc1nc(COc2cc(C)ccc2C(C)N)no1.
What is the InChIKey of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is PQORQOOJMSEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-14-16-13(17-19-14)8-18-12-7-9(2)5-6-11(12)10(3)15/h5-7,10H,4,8,15H2,1-3H3.
What are the key properties of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine?
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 63640960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).