7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine

C10H11ClN4O2 — CID 666894

IUPAC7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine
SMILESNc1c(N2CCOCC2)cc(Cl)c2nonc12
InChIInChI=1S/C10H11ClN4O2/c11-6-5-7(15-1-3-16-4-2-15)8(12)10-9(6)13-17-14-10/h5H,1-4,12H2
InChIKeyJRWLTKVLNIYLIT-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.29
Rot. Bonds1

About 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine

7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine (PubChem CID 666894) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine.

Molecular Properties

Compound Name7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine
PubChem CID666894
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine
SMILESNc1c(N2CCOCC2)cc(Cl)c2nonc12
InChIInChI=1S/C10H11ClN4O2/c11-6-5-7(15-1-3-16-4-2-15)8(12)10-9(6)13-17-14-10/h5H,1-4,12H2
InChIKeyJRWLTKVLNIYLIT-UHFFFAOYSA-N
XLogP1.29
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine?
The IUPAC name of 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine (CID 666894) is 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine.
What is the SMILES notation for 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine?
The canonical SMILES for 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine is Nc1c(N2CCOCC2)cc(Cl)c2nonc12.
What is the InChIKey of 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine?
The InChIKey is JRWLTKVLNIYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-6-5-7(15-1-3-16-4-2-15)8(12)10-9(6)13-17-14-10/h5H,1-4,12H2.
What are the key properties of 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine?
7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine has a molecular weight of 254.68 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-morpholin-4-yl-2,1,3-benzoxadiazol-4-amine is sourced from PubChem (CID 666894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).