2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole

C13H14N2O — CID 123370027

IUPAC2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole
SMILESCCC1N=CC(c2c[nH]c3ccccc23)O1
InChIInChI=1S/C13H14N2O/c1-2-13-15-8-12(16-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12-14H,2H2,1H3
InChIKeyITMOVZQJNBTPQO-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.05
Rot. Bonds2

About 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole

2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole (PubChem CID 123370027) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole
PubChem CID123370027
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole
SMILESCCC1N=CC(c2c[nH]c3ccccc23)O1
InChIInChI=1S/C13H14N2O/c1-2-13-15-8-12(16-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12-14H,2H2,1H3
InChIKeyITMOVZQJNBTPQO-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole (CID 123370027) is 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole is CCC1N=CC(c2c[nH]c3ccccc23)O1.
What is the InChIKey of 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole?
The InChIKey is ITMOVZQJNBTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13-15-8-12(16-13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12-14H,2H2,1H3.
What are the key properties of 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole?
2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole has a molecular weight of 214.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123370027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).