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

C9H15N3O2 — CID 65329408

IUPAC2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(C2CCOCC2)no1
InChIInChI=1S/C9H15N3O2/c10-4-1-8-11-9(12-14-8)7-2-5-13-6-3-7/h7H,1-6,10H2
InChIKeyGYCAZDDBTSTSHJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.46
Rot. Bonds3

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

2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 65329408) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID65329408
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(C2CCOCC2)no1
InChIInChI=1S/C9H15N3O2/c10-4-1-8-11-9(12-14-8)7-2-5-13-6-3-7/h7H,1-6,10H2
InChIKeyGYCAZDDBTSTSHJ-UHFFFAOYSA-N
XLogP0.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 65329408) is 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(C2CCOCC2)no1.
What is the InChIKey of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GYCAZDDBTSTSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-4-1-8-11-9(12-14-8)7-2-5-13-6-3-7/h7H,1-6,10H2.
What are the key properties of 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 197.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 65329408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).