1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol

C17H16N2O2 — CID 166374477

IUPAC1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol
SMILESCc1ccc2nonc2c1-c1cccc(C2(O)CCC2)c1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-14-16(19-21-18-14)15(11)12-4-2-5-13(10-12)17(20)8-3-9-17/h2,4-7,10,20H,3,8-9H2,1H3
InChIKeyOFFMEZGQPZDHQB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.57
Rot. Bonds2

About 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol

1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol (PubChem CID 166374477) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol
PubChem CID166374477
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol
SMILESCc1ccc2nonc2c1-c1cccc(C2(O)CCC2)c1
InChIInChI=1S/C17H16N2O2/c1-11-6-7-14-16(19-21-18-14)15(11)12-4-2-5-13(10-12)17(20)8-3-9-17/h2,4-7,10,20H,3,8-9H2,1H3
InChIKeyOFFMEZGQPZDHQB-UHFFFAOYSA-N
XLogP3.57
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol 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 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol (CID 166374477) is 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol is Cc1ccc2nonc2c1-c1cccc(C2(O)CCC2)c1.
What is the InChIKey of 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol?
The InChIKey is OFFMEZGQPZDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-6-7-14-16(19-21-18-14)15(11)12-4-2-5-13(10-12)17(20)8-3-9-17/h2,4-7,10,20H,3,8-9H2,1H3.
What are the key properties of 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol?
1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-2,1,3-benzoxadiazol-4-yl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 166374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).