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

C11H13N3O2 — CID 61326230

IUPAC1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1cccc(-c2nc(C(C)N)no2)c1
InChIInChI=1S/C11H13N3O2/c1-7(12)10-13-11(16-14-10)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3
InChIKeyYHRWPLKROIZJPR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.76
Rot. Bonds3

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

1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61326230) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61326230
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1cccc(-c2nc(C(C)N)no2)c1
InChIInChI=1S/C11H13N3O2/c1-7(12)10-13-11(16-14-10)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3
InChIKeyYHRWPLKROIZJPR-UHFFFAOYSA-N
XLogP1.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754014
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
2,2-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920036
5-(3-methoxyphenyl)-3-[1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 10385957
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
N',N'-dimethyl-1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635367
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61323972
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61326230) is 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is COc1cccc(-c2nc(C(C)N)no2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YHRWPLKROIZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(12)10-13-11(16-14-10)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3.
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61326230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).