4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole

C14H13N3OS — CID 47073218

IUPAC4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESCc1nc(CSc2cnc3ccccc3n2)oc1C
InChIInChI=1S/C14H13N3OS/c1-9-10(2)18-13(16-9)8-19-14-7-15-11-5-3-4-6-12(11)17-14/h3-7H,8H2,1-2H3
InChIKeyKADOMPGUOKQRLB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.53
Rot. Bonds3

About 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole

4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 47073218) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole
PubChem CID47073218
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESCc1nc(CSc2cnc3ccccc3n2)oc1C
InChIInChI=1S/C14H13N3OS/c1-9-10(2)18-13(16-9)8-19-14-7-15-11-5-3-4-6-12(11)17-14/h3-7H,8H2,1-2H3
InChIKeyKADOMPGUOKQRLB-UHFFFAOYSA-N
XLogP3.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-(quinoxalin-2-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 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole (CID 47073218) is 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole is Cc1nc(CSc2cnc3ccccc3n2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is KADOMPGUOKQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-10(2)18-13(16-9)8-19-14-7-15-11-5-3-4-6-12(11)17-14/h3-7H,8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole?
4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 271.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 47073218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).