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

C14H17N3O2 — CID 146091978

IUPAC1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1COCCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10-9-19-8-4-7-17(10)14(18)13-11-5-2-3-6-12(11)15-16-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,16)
InChIKeyIWDJNBXTHWQPNP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds1

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

1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 146091978) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID146091978
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1COCCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10-9-19-8-4-7-17(10)14(18)13-11-5-2-3-6-12(11)15-16-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,16)
InChIKeyIWDJNBXTHWQPNP-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
1H-indazol-3-yl-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124997703
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 124732884
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone (CID 146091978) is 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone is CC1COCCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is IWDJNBXTHWQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-19-8-4-7-17(10)14(18)13-11-5-2-3-6-12(11)15-16-13/h2-3,5-6,10H,4,7-9H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone?
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 146091978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).