N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine

C16H19N3O — CID 102916721

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(Cc3cc(C)on3)c2c1
InChIInChI=1S/C16H19N3O/c1-3-17-10-13-4-5-14-6-7-19(16(14)9-13)11-15-8-12(2)20-18-15/h4-9,17H,3,10-11H2,1-2H3
InChIKeyJRDOCUKDMRJGQZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.10
Rot. Bonds5

About N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine (PubChem CID 102916721) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
PubChem CID102916721
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(Cc3cc(C)on3)c2c1
InChIInChI=1S/C16H19N3O/c1-3-17-10-13-4-5-14-6-7-19(16(14)9-13)11-15-8-12(2)20-18-15/h4-9,17H,3,10-11H2,1-2H3
InChIKeyJRDOCUKDMRJGQZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine (CID 102916721) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine is CCNCc1ccc2ccn(Cc3cc(C)on3)c2c1.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine?
The InChIKey is JRDOCUKDMRJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-17-10-13-4-5-14-6-7-19(16(14)9-13)11-15-8-12(2)20-18-15/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine is sourced from PubChem (CID 102916721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).