1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

C17H21N3O3 — CID 138017673

IUPAC1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCCc1noc(COCC(=O)N2c3ccccc3CC2(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-4-14-18-15(23-19-14)10-22-11-16(21)20-13-8-6-5-7-12(13)9-17(20,2)3/h5-8H,4,9-11H2,1-3H3
InChIKeyLNVNVTFCKOBWEC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.52
Rot. Bonds5

About 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (PubChem CID 138017673) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
PubChem CID138017673
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCCc1noc(COCC(=O)N2c3ccccc3CC2(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-4-14-18-15(23-19-14)10-22-11-16(21)20-13-8-6-5-7-12(13)9-17(20,2)3/h5-8H,4,9-11H2,1-3H3
InChIKeyLNVNVTFCKOBWEC-UHFFFAOYSA-N
XLogP2.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The IUPAC name of 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (CID 138017673) is 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The canonical SMILES for 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is CCc1noc(COCC(=O)N2c3ccccc3CC2(C)C)n1.
What is the InChIKey of 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The InChIKey is LNVNVTFCKOBWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-14-18-15(23-19-14)10-22-11-16(21)20-13-8-6-5-7-12(13)9-17(20,2)3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone has a molecular weight of 315.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-indol-1-yl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is sourced from PubChem (CID 138017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).