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

C9H15N3O3 — CID 81085041

IUPAC2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(C2CCOC2)no1
InChIInChI=1S/C9H15N3O3/c1-13-5-7(10)9-11-8(12-15-9)6-2-3-14-4-6/h6-7H,2-5,10H2,1H3
InChIKeyJEQJVRHGYQRWHH-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.22
Rot. Bonds4

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

2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 81085041) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID81085041
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(C2CCOC2)no1
InChIInChI=1S/C9H15N3O3/c1-13-5-7(10)9-11-8(12-15-9)6-2-3-14-4-6/h6-7H,2-5,10H2,1H3
InChIKeyJEQJVRHGYQRWHH-UHFFFAOYSA-N
XLogP0.22
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005
5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456630
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 115385390
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81084258
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 103832338

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 81085041) is 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COCC(N)c1nc(C2CCOC2)no1.
What is the InChIKey of 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is JEQJVRHGYQRWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-13-5-7(10)9-11-8(12-15-9)6-2-3-14-4-6/h6-7H,2-5,10H2,1H3.
What are the key properties of 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 213.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 81085041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).