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

C14H19N3O2 — CID 103931481

IUPAC1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCOc1ccccc1C(C)NCCc1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-10(12-6-4-5-7-13(12)18-3)15-9-8-14-16-11(2)19-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyKCDAUQLUPGHGMQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 103931481) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID103931481
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCOc1ccccc1C(C)NCCc1noc(C)n1
InChIInChI=1S/C14H19N3O2/c1-10(12-6-4-5-7-13(12)18-3)15-9-8-14-16-11(2)19-17-14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyKCDAUQLUPGHGMQ-UHFFFAOYSA-N
XLogP2.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
4-fluoro-2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 104583920
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931631
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 103931481) is 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is COc1ccccc1C(C)NCCc1noc(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is KCDAUQLUPGHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(12-6-4-5-7-13(12)18-3)15-9-8-14-16-11(2)19-17-14/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 103931481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).