1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C21H19N3O3 — CID 86728610

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc(C)on2)c1
InChIInChI=1S/C21H19N3O3/c1-13-10-19(24-27-13)20(23-14-6-5-7-15(11-14)26-2)21(25)17-12-22-18-9-4-3-8-16(17)18/h3-12,20,22-23H,1-2H3
InChIKeyCVJBNMGKOIKUKR-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.51
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 86728610) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID86728610
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc(C)on2)c1
InChIInChI=1S/C21H19N3O3/c1-13-10-19(24-27-13)20(23-14-6-5-7-15(11-14)26-2)21(25)17-12-22-18-9-4-3-8-16(17)18/h3-12,20,22-23H,1-2H3
InChIKeyCVJBNMGKOIKUKR-UHFFFAOYSA-N
XLogP4.51
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 86728610) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cc(C)on2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is CVJBNMGKOIKUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-10-19(24-27-13)20(23-14-6-5-7-15(11-14)26-2)21(25)17-12-22-18-9-4-3-8-16(17)18/h3-12,20,22-23H,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 361.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 86728610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).