(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C15H19N3O2 — CID 146102333

IUPAC(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCCOC(C)C3)[nH]nc12
InChIInChI=1S/C15H19N3O2/c1-10-5-3-6-12-13(10)16-17-14(12)15(19)18-7-4-8-20-11(2)9-18/h3,5-6,11H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyKZDUYOKPMKRVES-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.12
Rot. Bonds1

About (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 146102333) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID146102333
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCCOC(C)C3)[nH]nc12
InChIInChI=1S/C15H19N3O2/c1-10-5-3-6-12-13(10)16-17-14(12)15(19)18-7-4-8-20-11(2)9-18/h3,5-6,11H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyKZDUYOKPMKRVES-UHFFFAOYSA-N
XLogP2.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone 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

(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968876
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 146102333) is (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is Cc1cccc2c(C(=O)N3CCCOC(C)C3)[nH]nc12.
What is the InChIKey of (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is KZDUYOKPMKRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-5-3-6-12-13(10)16-17-14(12)15(19)18-7-4-8-20-11(2)9-18/h3,5-6,11H,4,7-9H2,1-2H3,(H,16,17).
What are the key properties of (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 146102333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).