1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine

C9H17N3O2 — CID 63347822

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCCc1noc(CC(COC)NC)n1
InChIInChI=1S/C9H17N3O2/c1-4-8-11-9(14-12-8)5-7(10-2)6-13-3/h7,10H,4-6H2,1-3H3
InChIKeyNTNCURRUMIPOHK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.41
Rot. Bonds6

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 63347822) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID63347822
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCCc1noc(CC(COC)NC)n1
InChIInChI=1S/C9H17N3O2/c1-4-8-11-9(14-12-8)5-7(10-2)6-13-3/h7,10H,4-6H2,1-3H3
InChIKeyNTNCURRUMIPOHK-UHFFFAOYSA-N
XLogP0.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (CID 63347822) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is CCc1noc(CC(COC)NC)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is NTNCURRUMIPOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-8-11-9(14-12-8)5-7(10-2)6-13-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 63347822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).