2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine

C15H17N3O — CID 82482255

IUPAC2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCc1c(-c2nc(CCN)co2)c2ccccc2n1C
InChIInChI=1S/C15H17N3O/c1-10-14(15-17-11(7-8-16)9-19-15)12-5-3-4-6-13(12)18(10)2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyOLEUPTBYGCDZPP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine

2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 82482255) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
PubChem CID82482255
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCc1c(-c2nc(CCN)co2)c2ccccc2n1C
InChIInChI=1S/C15H17N3O/c1-10-14(15-17-11(7-8-16)9-19-15)12-5-3-4-6-13(12)18(10)2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyOLEUPTBYGCDZPP-UHFFFAOYSA-N
XLogP2.64
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82482608
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944
[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82477320
2-(1,2-dimethylindol-3-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82488144
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
CID 82287964
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine (CID 82482255) is 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine is Cc1c(-c2nc(CCN)co2)c2ccccc2n1C.
What is the InChIKey of 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is OLEUPTBYGCDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-14(15-17-11(7-8-16)9-19-15)12-5-3-4-6-13(12)18(10)2/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82482255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).