1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine

C16H13FN4O — CID 144923888

IUPAC1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine
SMILESCNNc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1
InChIInChI=1S/C16H13FN4O/c1-18-21-16-20-13-5-2-9(6-15(13)22-16)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,18-19H,1H3,(H,20,21)
InChIKeyCSZGOKWNTDVSJP-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.66
Rot. Bonds3

About 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine

1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine (PubChem CID 144923888) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine
PubChem CID144923888
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine
SMILESCNNc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1
InChIInChI=1S/C16H13FN4O/c1-18-21-16-20-13-5-2-9(6-15(13)22-16)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,18-19H,1H3,(H,20,21)
InChIKeyCSZGOKWNTDVSJP-UHFFFAOYSA-N
XLogP3.66
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine 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-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine?
The IUPAC name of 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine (CID 144923888) is 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine?
The canonical SMILES for 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine is CNNc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2o1.
What is the InChIKey of 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine?
The InChIKey is CSZGOKWNTDVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-18-21-16-20-13-5-2-9(6-15(13)22-16)12-8-19-14-7-10(17)3-4-11(12)14/h2-8,18-19H,1H3,(H,20,21).
What are the key properties of 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine?
1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine has a molecular weight of 296.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]-2-methylhydrazine is sourced from PubChem (CID 144923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).