6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole

C10H10ClN3O2 — CID 42647724

IUPAC6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESClc1cc(N2CCOCC2)c2nonc2c1
InChIInChI=1S/C10H10ClN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyJMSLBXGCRGVPAC-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.71
Rot. Bonds1

About 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole

6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole (PubChem CID 42647724) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole
PubChem CID42647724
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole
SMILESClc1cc(N2CCOCC2)c2nonc2c1
InChIInChI=1S/C10H10ClN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyJMSLBXGCRGVPAC-UHFFFAOYSA-N
XLogP1.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The IUPAC name of 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole (CID 42647724) is 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole.
What is the SMILES notation for 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The canonical SMILES for 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole is Clc1cc(N2CCOCC2)c2nonc2c1.
What is the InChIKey of 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole?
The InChIKey is JMSLBXGCRGVPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-5-8-10(13-16-12-8)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2.
What are the key properties of 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole?
6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole has a molecular weight of 239.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole is sourced from PubChem (CID 42647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).