4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine

C11H13N3O2 — CID 43518651

IUPAC4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(OC2CCCC2)c2nonc12
InChIInChI=1S/C11H13N3O2/c12-8-5-6-9(11-10(8)13-16-14-11)15-7-3-1-2-4-7/h5-7H,1-4,12H2
InChIKeyTZEGJNBKDGRFGA-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.13
Rot. Bonds2

About 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine

4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine (PubChem CID 43518651) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine
PubChem CID43518651
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(OC2CCCC2)c2nonc12
InChIInChI=1S/C11H13N3O2/c12-8-5-6-9(11-10(8)13-16-14-11)15-7-3-1-2-4-7/h5-7H,1-4,12H2
InChIKeyTZEGJNBKDGRFGA-UHFFFAOYSA-N
XLogP2.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine (CID 43518651) is 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine is Nc1ccc(OC2CCCC2)c2nonc12.
What is the InChIKey of 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine?
The InChIKey is TZEGJNBKDGRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-5-6-9(11-10(8)13-16-14-11)15-7-3-1-2-4-7/h5-7H,1-4,12H2.
What are the key properties of 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine?
4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine has a molecular weight of 219.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 43518651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).