2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole

C13H14N2O — CID 3427821

IUPAC2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NCCO2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-2-15-9-11(13-14-7-8-16-13)10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3
InChIKeyGAQNHBNJZBUZOL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.44
Rot. Bonds2

About 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole

2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 3427821) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole
PubChem CID3427821
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NCCO2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-2-15-9-11(13-14-7-8-16-13)10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3
InChIKeyGAQNHBNJZBUZOL-UHFFFAOYSA-N
XLogP2.44
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole (CID 3427821) is 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole is CCn1cc(C2=NCCO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GAQNHBNJZBUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-15-9-11(13-14-7-8-16-13)10-5-3-4-6-12(10)15/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole?
2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 214.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3427821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).