2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine

C14H15N3O — CID 82387429

IUPAC2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1nocc1C(N)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15N3O/c1-9-12(8-18-17-9)13(15)7-10-2-3-14-11(6-10)4-5-16-14/h2-6,8,13,16H,7,15H2,1H3
InChIKeyQAVMAQSJMAKRPY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.71
Rot. Bonds3

About 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine

2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 82387429) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine
PubChem CID82387429
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1nocc1C(N)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15N3O/c1-9-12(8-18-17-9)13(15)7-10-2-3-14-11(6-10)4-5-16-14/h2-6,8,13,16H,7,15H2,1H3
InChIKeyQAVMAQSJMAKRPY-UHFFFAOYSA-N
XLogP2.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine (CID 82387429) is 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine is Cc1nocc1C(N)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is QAVMAQSJMAKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-12(8-18-17-9)13(15)7-10-2-3-14-11(6-10)4-5-16-14/h2-6,8,13,16H,7,15H2,1H3.
What are the key properties of 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine?
2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-1-(3-methyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 82387429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).