1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C17H21N3O — CID 106368804

IUPAC1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2c(C)c3ccccc3n2C)o1
InChIInChI=1S/C17H21N3O/c1-4-13-9-19-17(21-13)11-18-10-16-12(2)14-7-5-6-8-15(14)20(16)3/h5-9,18H,4,10-11H2,1-3H3
InChIKeyUQLKRKWSUWMQTD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.33
Rot. Bonds5

About 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106368804) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106368804
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2c(C)c3ccccc3n2C)o1
InChIInChI=1S/C17H21N3O/c1-4-13-9-19-17(21-13)11-18-10-16-12(2)14-7-5-6-8-15(14)20(16)3/h5-9,18H,4,10-11H2,1-3H3
InChIKeyUQLKRKWSUWMQTD-UHFFFAOYSA-N
XLogP3.33
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106368804) is 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2c(C)c3ccccc3n2C)o1.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is UQLKRKWSUWMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-13-9-19-17(21-13)11-18-10-16-12(2)14-7-5-6-8-15(14)20(16)3/h5-9,18H,4,10-11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106368804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).