2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

C12H15N3O2 — CID 55201494

IUPAC2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc(OCc2ncon2)c(CCN)c1
InChIInChI=1S/C12H15N3O2/c1-9-2-3-11(10(6-9)4-5-13)16-7-12-14-8-17-15-12/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyUGTRSLMRNIIWFX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.46
Rot. Bonds5

About 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (PubChem CID 55201494) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
PubChem CID55201494
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCc1ccc(OCc2ncon2)c(CCN)c1
InChIInChI=1S/C12H15N3O2/c1-9-2-3-11(10(6-9)4-5-13)16-7-12-14-8-17-15-12/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyUGTRSLMRNIIWFX-UHFFFAOYSA-N
XLogP1.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60905651
(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
CID 43394142
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 63325788
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63326402
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (CID 55201494) is 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is Cc1ccc(OCc2ncon2)c(CCN)c1.
What is the InChIKey of 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is UGTRSLMRNIIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-2-3-11(10(6-9)4-5-13)16-7-12-14-8-17-15-12/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 55201494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).