(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol

C17H22N4O3 — CID 129243563

IUPAC(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1
InChIInChI=1S/C17H22N4O3/c22-5-1-2-13-8-15-17(19-24-18-15)16(9-13)21-11-14(12-21)10-20-3-6-23-7-4-20/h1-2,8-9,14,22H,3-7,10-12H2/b2-1+
InChIKeyQDOHRLIONLRQPG-OWOJBTEDSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds5

About (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol

(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol (PubChem CID 129243563) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol
PubChem CID129243563
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1
InChIInChI=1S/C17H22N4O3/c22-5-1-2-13-8-15-17(19-24-18-15)16(9-13)21-11-14(12-21)10-20-3-6-23-7-4-20/h1-2,8-9,14,22H,3-7,10-12H2/b2-1+
InChIKeyQDOHRLIONLRQPG-OWOJBTEDSA-N
XLogP1.00
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol (CID 129243563) is (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol is OC/C=C/c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1.
What is the InChIKey of (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol?
The InChIKey is QDOHRLIONLRQPG-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-5-1-2-13-8-15-17(19-24-18-15)16(9-13)21-11-14(12-21)10-20-3-6-23-7-4-20/h1-2,8-9,14,22H,3-7,10-12H2/b2-1+.
What are the key properties of (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol?
(E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol has a molecular weight of 330.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 129243563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).