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

C13H17N3O3 — CID 103157574

IUPAC2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOc1ccccc1-c1noc(CC(CN)OC)n1
InChIInChI=1S/C13H17N3O3/c1-17-9(8-14)7-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyISOUBRSYRJFLGD-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.26
Rot. Bonds6

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

2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 103157574) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID103157574
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOc1ccccc1-c1noc(CC(CN)OC)n1
InChIInChI=1S/C13H17N3O3/c1-17-9(8-14)7-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyISOUBRSYRJFLGD-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 107280250
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346174
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157591
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
(2R,3S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759561
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 103157574) is 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is COc1ccccc1-c1noc(CC(CN)OC)n1.
What is the InChIKey of 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is ISOUBRSYRJFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-9(8-14)7-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 103157574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).