5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol

C9H14N2O2 — CID 129296480

IUPAC5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCC(C)C1CCc2nonc2C1O
InChIInChI=1S/C9H14N2O2/c1-5(2)6-3-4-7-8(9(6)12)11-13-10-7/h5-6,9,12H,3-4H2,1-2H3
InChIKeyIQBZYAWIJYQAEQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds1

About 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol

5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (PubChem CID 129296480) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
PubChem CID129296480
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCC(C)C1CCc2nonc2C1O
InChIInChI=1S/C9H14N2O2/c1-5(2)6-3-4-7-8(9(6)12)11-13-10-7/h5-6,9,12H,3-4H2,1-2H3
InChIKeyIQBZYAWIJYQAEQ-UHFFFAOYSA-N
XLogP1.32
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (CID 129296480) is 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The canonical SMILES for 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is CC(C)C1CCc2nonc2C1O.
What is the InChIKey of 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The InChIKey is IQBZYAWIJYQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)6-3-4-7-8(9(6)12)11-13-10-7/h5-6,9,12H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol has a molecular weight of 182.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is sourced from PubChem (CID 129296480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).