3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one

C13H11N3O2S — CID 712010

IUPAC3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one
SMILESCn1c(SCc2ccon2)nc2ccccc2c1=O
InChIInChI=1S/C13H11N3O2S/c1-16-12(17)10-4-2-3-5-11(10)14-13(16)19-8-9-6-7-18-15-9/h2-7H,8H2,1H3
InChIKeyUCGFHNCRFLFSDK-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one

3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 712010) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one
PubChem CID712010
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one
SMILESCn1c(SCc2ccon2)nc2ccccc2c1=O
InChIInChI=1S/C13H11N3O2S/c1-16-12(17)10-4-2-3-5-11(10)14-13(16)19-8-9-6-7-18-15-9/h2-7H,8H2,1H3
InChIKeyUCGFHNCRFLFSDK-UHFFFAOYSA-N
XLogP2.21
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one 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 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one (CID 712010) is 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one is Cn1c(SCc2ccon2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is UCGFHNCRFLFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-16-12(17)10-4-2-3-5-11(10)14-13(16)19-8-9-6-7-18-15-9/h2-7H,8H2,1H3.
What are the key properties of 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one?
3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 273.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2-oxazol-3-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 712010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).