2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole

C16H16N2OS — CID 167862496

IUPAC2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
SMILESCCc1nc(C)c(CSc2cccc3cccnc23)o1
InChIInChI=1S/C16H16N2OS/c1-3-15-18-11(2)13(19-15)10-20-14-8-4-6-12-7-5-9-17-16(12)14/h4-9H,3,10H2,1-2H3
InChIKeyUWBCXGRRQIFQIF-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.39
Rot. Bonds4

About 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole

2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 167862496) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
PubChem CID167862496
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
SMILESCCc1nc(C)c(CSc2cccc3cccnc23)o1
InChIInChI=1S/C16H16N2OS/c1-3-15-18-11(2)13(19-15)10-20-14-8-4-6-12-7-5-9-17-16(12)14/h4-9H,3,10H2,1-2H3
InChIKeyUWBCXGRRQIFQIF-UHFFFAOYSA-N
XLogP4.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole (CID 167862496) is 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole is CCc1nc(C)c(CSc2cccc3cccnc23)o1.
What is the InChIKey of 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is UWBCXGRRQIFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-15-18-11(2)13(19-15)10-20-14-8-4-6-12-7-5-9-17-16(12)14/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole?
2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 284.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 167862496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).