1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine

C16H19N3O — CID 102911382

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19N3O/c1-10(16-11(2)19-20-12(16)3)18-9-13-4-5-14-6-7-17-15(14)8-13/h4-8,10,17-18H,9H2,1-3H3
InChIKeyVOYPNXBHURUVHH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.62
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine (PubChem CID 102911382) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
PubChem CID102911382
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19N3O/c1-10(16-11(2)19-20-12(16)3)18-9-13-4-5-14-6-7-17-15(14)8-13/h4-8,10,17-18H,9H2,1-3H3
InChIKeyVOYPNXBHURUVHH-UHFFFAOYSA-N
XLogP3.62
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 79230833
4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
CID 113407270
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine (CID 102911382) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine is Cc1noc(C)c1C(C)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
The InChIKey is VOYPNXBHURUVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(16-11(2)19-20-12(16)3)18-9-13-4-5-14-6-7-17-15(14)8-13/h4-8,10,17-18H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine is sourced from PubChem (CID 102911382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).