4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole

C13H11N3OS — CID 24656803

IUPAC4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole
SMILESCc1nc(Sc2ncnc3ccccc23)oc1C
InChIInChI=1S/C13H11N3OS/c1-8-9(2)17-13(16-8)18-12-10-5-3-4-6-11(10)14-7-15-12/h3-7H,1-2H3
InChIKeySUWPQWZANDQGCP-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.39
Rot. Bonds2

About 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole

4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole (PubChem CID 24656803) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole
PubChem CID24656803
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole
SMILESCc1nc(Sc2ncnc3ccccc23)oc1C
InChIInChI=1S/C13H11N3OS/c1-8-9(2)17-13(16-8)18-12-10-5-3-4-6-11(10)14-7-15-12/h3-7H,1-2H3
InChIKeySUWPQWZANDQGCP-UHFFFAOYSA-N
XLogP3.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole (CID 24656803) is 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole is Cc1nc(Sc2ncnc3ccccc23)oc1C.
What is the InChIKey of 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole?
The InChIKey is SUWPQWZANDQGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-9(2)17-13(16-8)18-12-10-5-3-4-6-11(10)14-7-15-12/h3-7H,1-2H3.
What are the key properties of 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole?
4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole has a molecular weight of 257.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-quinazolin-4-ylsulfanyl-1,3-oxazole is sourced from PubChem (CID 24656803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).