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

C16H19N3O — CID 106369642

IUPAC1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c(C)c3ccccc3n2C)o1
InChIInChI=1S/C16H19N3O/c1-11-8-18-16(20-11)10-17-9-15-12(2)13-6-4-5-7-14(13)19(15)3/h4-8,17H,9-10H2,1-3H3
InChIKeyLHQOEUUCROEVJD-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds4

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

1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106369642) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106369642
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c(C)c3ccccc3n2C)o1
InChIInChI=1S/C16H19N3O/c1-11-8-18-16(20-11)10-17-9-15-12(2)13-6-4-5-7-14(13)19(15)3/h4-8,17H,9-10H2,1-3H3
InChIKeyLHQOEUUCROEVJD-UHFFFAOYSA-N
XLogP3.07
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.07
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-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106369642) is 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2c(C)c3ccccc3n2C)o1.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is LHQOEUUCROEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-18-16(20-11)10-17-9-15-12(2)13-6-4-5-7-14(13)19(15)3/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1,3-dimethylindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 3.07, 4 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-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106369642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).