2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine

C18H17N3OS — CID 56669010

IUPAC2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2coc(-c3cccs3)n2)c2ccccc12
InChIInChI=1S/C18H17N3OS/c19-8-7-13-10-21(16-5-2-1-4-15(13)16)11-14-12-22-18(20-14)17-6-3-9-23-17/h1-6,9-10,12H,7-8,11,19H2
InChIKeyAMQZVLVBTDDRKK-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.91
Rot. Bonds5

About 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine

2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine (PubChem CID 56669010) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine
PubChem CID56669010
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine
SMILESNCCc1cn(Cc2coc(-c3cccs3)n2)c2ccccc12
InChIInChI=1S/C18H17N3OS/c19-8-7-13-10-21(16-5-2-1-4-15(13)16)11-14-12-22-18(20-14)17-6-3-9-23-17/h1-6,9-10,12H,7-8,11,19H2
InChIKeyAMQZVLVBTDDRKK-UHFFFAOYSA-N
XLogP3.91
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 17404827
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanol
CID 81444859

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine (CID 56669010) is 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine is NCCc1cn(Cc2coc(-c3cccs3)n2)c2ccccc12.
What is the InChIKey of 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine?
The InChIKey is AMQZVLVBTDDRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-8-7-13-10-21(16-5-2-1-4-15(13)16)11-14-12-22-18(20-14)17-6-3-9-23-17/h1-6,9-10,12H,7-8,11,19H2.
What are the key properties of 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine?
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine has a molecular weight of 323.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 56669010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).