3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C13H17N3O3 — CID 82358645

IUPAC3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOc1cc(OC)cc(-c2noc(CCCN)n2)c1
InChIInChI=1S/C13H17N3O3/c1-17-10-6-9(7-11(8-10)18-2)13-15-12(19-16-13)4-3-5-14/h6-8H,3-5,14H2,1-2H3
InChIKeyJANDMVNSOAALQN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.65
Rot. Bonds6

About 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 82358645) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID82358645
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOc1cc(OC)cc(-c2noc(CCCN)n2)c1
InChIInChI=1S/C13H17N3O3/c1-17-10-6-9(7-11(8-10)18-2)13-15-12(19-16-13)4-3-5-14/h6-8H,3-5,14H2,1-2H3
InChIKeyJANDMVNSOAALQN-UHFFFAOYSA-N
XLogP1.65
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116
1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103399766
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 98372425
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 103399678
(1R)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103399515

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 82358645) is 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is COc1cc(OC)cc(-c2noc(CCCN)n2)c1.
What is the InChIKey of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is JANDMVNSOAALQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-10-6-9(7-11(8-10)18-2)13-15-12(19-16-13)4-3-5-14/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 82358645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).