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

C9H17N3O3 — CID 63350060

IUPAC1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOCCc1noc(CC(N)COC)n1
InChIInChI=1S/C9H17N3O3/c1-13-4-3-8-11-9(15-12-8)5-7(10)6-14-2/h7H,3-6,10H2,1-2H3
InChIKeyHTBCVUYLZKWKIJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.23
Rot. Bonds7

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

1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63350060) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63350060
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOCCc1noc(CC(N)COC)n1
InChIInChI=1S/C9H17N3O3/c1-13-4-3-8-11-9(15-12-8)5-7(10)6-14-2/h7H,3-6,10H2,1-2H3
InChIKeyHTBCVUYLZKWKIJ-UHFFFAOYSA-N
XLogP-0.23
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 55202613
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62589330
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 65403537
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63350060) is 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is COCCc1noc(CC(N)COC)n1.
What is the InChIKey of 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is HTBCVUYLZKWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-13-4-3-8-11-9(15-12-8)5-7(10)6-14-2/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 215.25 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63350060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).