2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide

C17H16N4O2 — CID 110754943

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
SMILESO=C(CN1CCOc2ccccc21)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16N4O2/c22-17(19-13-6-5-12-10-18-20-14(12)9-13)11-21-7-8-23-16-4-2-1-3-15(16)21/h1-6,9-10H,7-8,11H2,(H,18,20)(H,19,22)
InChIKeyVAGXYSHMZREMJZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide (PubChem CID 110754943) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
PubChem CID110754943
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
SMILESO=C(CN1CCOc2ccccc21)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16N4O2/c22-17(19-13-6-5-12-10-18-20-14(12)9-13)11-21-7-8-23-16-4-2-1-3-15(16)21/h1-6,9-10H,7-8,11H2,(H,18,20)(H,19,22)
InChIKeyVAGXYSHMZREMJZ-UHFFFAOYSA-N
XLogP2.40
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indazol-6-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686639
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
N-(1H-indazol-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 36561663
N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216
2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
CID 110771181
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110754905
N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide
CID 122133610
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754936
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide (CID 110754943) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide is O=C(CN1CCOc2ccccc21)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide?
The InChIKey is VAGXYSHMZREMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(19-13-6-5-12-10-18-20-14(12)9-13)11-21-7-8-23-16-4-2-1-3-15(16)21/h1-6,9-10H,7-8,11H2,(H,18,20)(H,19,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 110754943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).