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

C16H20N2OS — CID 3424689

IUPAC2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(CCSC)CO2)c2ccccc21
InChIInChI=1S/C16H20N2OS/c1-3-18-10-14(13-6-4-5-7-15(13)18)16-17-12(11-19-16)8-9-20-2/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyLPYWLSGKERDNJZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.56
Rot. Bonds5

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

2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 3424689) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID3424689
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(CCSC)CO2)c2ccccc21
InChIInChI=1S/C16H20N2OS/c1-3-18-10-14(13-6-4-5-7-15(13)18)16-17-12(11-19-16)8-9-20-2/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyLPYWLSGKERDNJZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole (CID 3424689) is 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole is CCn1cc(C2=NC(CCSC)CO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LPYWLSGKERDNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-18-10-14(13-6-4-5-7-15(13)18)16-17-12(11-19-16)8-9-20-2/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 288.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3424689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).