N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide

C15H20N6O3 — CID 137203092

IUPACN'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide
SMILESN/C(=N\O)c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1
InChIInChI=1S/C15H20N6O3/c16-15(17-22)11-5-12-14(19-24-18-12)13(6-11)21-8-10(9-21)7-20-1-3-23-4-2-20/h5-6,10,22H,1-4,7-9H2,(H2,16,17)
InChIKeyUIEPMKSWHRXKKP-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.09
Rot. Bonds4

About N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide

N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide (PubChem CID 137203092) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide
PubChem CID137203092
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC NameN'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide
SMILESN/C(=N\O)c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1
InChIInChI=1S/C15H20N6O3/c16-15(17-22)11-5-12-14(19-24-18-12)13(6-11)21-8-10(9-21)7-20-1-3-23-4-2-20/h5-6,10,22H,1-4,7-9H2,(H2,16,17)
InChIKeyUIEPMKSWHRXKKP-UHFFFAOYSA-N
XLogP0.09
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide 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 N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide?
The IUPAC name of N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide (CID 137203092) is N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide is N/C(=N\O)c1cc(N2CC(CN3CCOCC3)C2)c2nonc2c1.
What is the InChIKey of N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide?
The InChIKey is UIEPMKSWHRXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c16-15(17-22)11-5-12-14(19-24-18-12)13(6-11)21-8-10(9-21)7-20-1-3-23-4-2-20/h5-6,10,22H,1-4,7-9H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide?
N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide has a molecular weight of 332.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazole-6-carboximidamide is sourced from PubChem (CID 137203092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).