ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine

C11H21N3O2 — CID 177158826

IUPACethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
SMILESCC.CC(C)N1CCOC(c2ncon2)C1
InChIInChI=1S/C9H15N3O2.C2H6/c1-7(2)12-3-4-13-8(5-12)9-10-6-14-11-9;1-2/h6-8H,3-5H2,1-2H3;1-2H3
InChIKeyQHWPYZHYMAWVLC-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.88
Rot. Bonds2

About ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine

ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine (PubChem CID 177158826) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Nameethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
PubChem CID177158826
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nameethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
SMILESCC.CC(C)N1CCOC(c2ncon2)C1
InChIInChI=1S/C9H15N3O2.C2H6/c1-7(2)12-3-4-13-8(5-12)9-10-6-14-11-9;1-2/h6-8H,3-5H2,1-2H3;1-2H3
InChIKeyQHWPYZHYMAWVLC-UHFFFAOYSA-N
XLogP1.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine?
The IUPAC name of ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine (CID 177158826) is ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine is CC.CC(C)N1CCOC(c2ncon2)C1.
What is the InChIKey of ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine?
The InChIKey is QHWPYZHYMAWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C2H6/c1-7(2)12-3-4-13-8(5-12)9-10-6-14-11-9;1-2/h6-8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine?
ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine has a molecular weight of 227.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 177158826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).