1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole

C27H29N3O2 — CID 158233296

IUPAC1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole
SMILESCCn1cc(-c2ccno2)c2ccc(C)cc21.CCn1cc(C(C)=O)c2ccc(C)cc21
InChIInChI=1S/C14H14N2O.C13H15NO/c1-3-16-9-12(14-6-7-15-17-14)11-5-4-10(2)8-13(11)16;1-4-14-8-12(10(3)15)11-6-5-9(2)7-13(11)14/h4-9H,3H2,1-2H3;5-8H,4H2,1-3H3
InChIKeyGEQKSLXXCFFTJN-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.80
Rot. Bonds4

About 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole

1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole (PubChem CID 158233296) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole
PubChem CID158233296
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole
SMILESCCn1cc(-c2ccno2)c2ccc(C)cc21.CCn1cc(C(C)=O)c2ccc(C)cc21
InChIInChI=1S/C14H14N2O.C13H15NO/c1-3-16-9-12(14-6-7-15-17-14)11-5-4-10(2)8-13(11)16;1-4-14-8-12(10(3)15)11-6-5-9(2)7-13(11)14/h4-9H,3H2,1-2H3;5-8H,4H2,1-3H3
InChIKeyGEQKSLXXCFFTJN-UHFFFAOYSA-N
XLogP6.80
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole?
The IUPAC name of 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole (CID 158233296) is 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole.
What is the SMILES notation for 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole?
The canonical SMILES for 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole is CCn1cc(-c2ccno2)c2ccc(C)cc21.CCn1cc(C(C)=O)c2ccc(C)cc21.
What is the InChIKey of 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole?
The InChIKey is GEQKSLXXCFFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.C13H15NO/c1-3-16-9-12(14-6-7-15-17-14)11-5-4-10(2)8-13(11)16;1-4-14-8-12(10(3)15)11-6-5-9(2)7-13(11)14/h4-9H,3H2,1-2H3;5-8H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole?
1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole has a molecular weight of 427.55 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-methylindol-3-yl)ethanone;5-(1-ethyl-6-methylindol-3-yl)-1,2-oxazole is sourced from PubChem (CID 158233296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).