(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C17H15N3O2 — CID 121278082

IUPAC(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4[nH]ncc4c3)c2O1
InChIInChI=1S/C17H15N3O2/c1-10-7-16(21)19-15-4-2-3-13(17(15)22-10)11-5-6-14-12(8-11)9-18-20-14/h2-6,8-10H,7H2,1H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyYVIOJOYMWIUHFV-SNVBAGLBSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds1

About (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121278082) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121278082
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4[nH]ncc4c3)c2O1
InChIInChI=1S/C17H15N3O2/c1-10-7-16(21)19-15-4-2-3-13(17(15)22-10)11-5-6-14-12(8-11)9-18-20-14/h2-6,8-10H,7H2,1H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyYVIOJOYMWIUHFV-SNVBAGLBSA-N
XLogP3.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

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Related Compounds

N-1H-indazol-5-yl-2-(2-isopropylphenoxy)acetamide
CID 6469899
1-(4-{[7-(1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]carbonyl}-phenyl)ethanone
CID 59605039
8-(1H-indazol-5-yl)-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 164612314
N-(1H-indazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 17148690
2-(4-ethylphenoxy)-N-1H-indazol-5-ylacetamide
CID 17148692
N-(1H-indazol-5-yl)-2-phenoxyacetamide
CID 17148772
US11649218, Example NCGC00373058
CID 139479178
(2R)-9-(1,4-dimethylindazol-5-
CID 121277991
US10206931, Example 150
CID 121277998
(2R)-9-(1,6-dimethylindazol-5-
CID 121278054
(2R)-9-(1,3-dimethylindazol-5-
CID 121278058
US10206931, Example 146
CID 121278087

Frequently Asked Questions

What is the IUPAC name of (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121278082) is (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is C[C@@H]1CC(=O)Nc2cccc(-c3ccc4[nH]ncc4c3)c2O1.
What is the InChIKey of (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is YVIOJOYMWIUHFV-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-7-16(21)19-15-4-2-3-13(17(15)22-10)11-5-6-14-12(8-11)9-18-20-14/h2-6,8-10H,7H2,1H3,(H,18,20)(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 293.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-(1H-indazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).