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

C16H19N3O — CID 106368855

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine
SMILESCCc1cnc(CNCc2cn(C)c3ccccc23)o1
InChIInChI=1S/C16H19N3O/c1-3-13-9-18-16(20-13)10-17-8-12-11-19(2)15-7-5-4-6-14(12)15/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyJBVMCJULFBSOTM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.02
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine (PubChem CID 106368855) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine
PubChem CID106368855
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine
SMILESCCc1cnc(CNCc2cn(C)c3ccccc23)o1
InChIInChI=1S/C16H19N3O/c1-3-13-9-18-16(20-13)10-17-8-12-11-19(2)15-7-5-4-6-14(12)15/h4-7,9,11,17H,3,8,10H2,1-2H3
InChIKeyJBVMCJULFBSOTM-UHFFFAOYSA-N
XLogP3.02
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine (CID 106368855) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine is CCc1cnc(CNCc2cn(C)c3ccccc23)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine?
The InChIKey is JBVMCJULFBSOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-13-9-18-16(20-13)10-17-8-12-11-19(2)15-7-5-4-6-14(12)15/h4-7,9,11,17H,3,8,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 106368855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).