1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone

C16H21N3O2 — CID 116588070

IUPAC1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
SMILESCCNC1COCC1C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-17-14-10-21-9-12(14)16(20)8-13-11-6-4-5-7-15(11)19(2)18-13/h4-7,12,14,17H,3,8-10H2,1-2H3
InChIKeyNCQYYYCOZQQJAG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.31
Rot. Bonds5

About 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone

1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone (PubChem CID 116588070) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
PubChem CID116588070
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
SMILESCCNC1COCC1C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-17-14-10-21-9-12(14)16(20)8-13-11-6-4-5-7-15(11)19(2)18-13/h4-7,12,14,17H,3,8-10H2,1-2H3
InChIKeyNCQYYYCOZQQJAG-UHFFFAOYSA-N
XLogP1.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116561419
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588170
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116588030
4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66237404
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587915
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone (CID 116588070) is 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone is CCNC1COCC1C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is NCQYYYCOZQQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-17-14-10-21-9-12(14)16(20)8-13-11-6-4-5-7-15(11)19(2)18-13/h4-7,12,14,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 116588070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).