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

C15H18N2O — CID 3424690

IUPAC2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCn1cc(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-4-17-9-12(11-7-5-6-8-13(11)17)14-16-15(2,3)10-18-14/h5-9H,4,10H2,1-3H3
InChIKeyQDQQDIWKULEZOK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds2

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

2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3424690) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3424690
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCCn1cc(C2=NC(C)(C)CO2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-4-17-9-12(11-7-5-6-8-13(11)17)14-16-15(2,3)10-18-14/h5-9H,4,10H2,1-3H3
InChIKeyQDQQDIWKULEZOK-UHFFFAOYSA-N
XLogP3.22
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
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)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 3424690) is 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole is CCn1cc(C2=NC(C)(C)CO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is QDQQDIWKULEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-17-9-12(11-7-5-6-8-13(11)17)14-16-15(2,3)10-18-14/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-ethylindol-3-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.22, 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)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3424690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).