3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one

C17H21N3O3 — CID 4784574

IUPAC3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-10(2)8-9-20-13-7-5-4-6-12(13)17(22,16(20)21)14-11(3)19-23-15(14)18/h4-7,10,22H,8-9,18H2,1-3H3
InChIKeySOYNZMZYJRTQFE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.19
Rot. Bonds4

About 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one

3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one (PubChem CID 4784574) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one
PubChem CID4784574
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one
SMILESCc1noc(N)c1C1(O)C(=O)N(CCC(C)C)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-10(2)8-9-20-13-7-5-4-6-12(13)17(22,16(20)21)14-11(3)19-23-15(14)18/h4-7,10,22H,8-9,18H2,1-3H3
InChIKeySOYNZMZYJRTQFE-UHFFFAOYSA-N
XLogP2.19
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one?
The IUPAC name of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one (CID 4784574) is 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one.
What is the SMILES notation for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one?
The canonical SMILES for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one is Cc1noc(N)c1C1(O)C(=O)N(CCC(C)C)c2ccccc21.
What is the InChIKey of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one?
The InChIKey is SOYNZMZYJRTQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)8-9-20-13-7-5-4-6-12(13)17(22,16(20)21)14-11(3)19-23-15(14)18/h4-7,10,22H,8-9,18H2,1-3H3.
What are the key properties of 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one?
3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one is sourced from PubChem (CID 4784574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).