4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole

C8H13NOS — CID 134224932

IUPAC4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole
SMILESCSc1nc(C)c(C(C)C)o1
InChIInChI=1S/C8H13NOS/c1-5(2)7-6(3)9-8(10-7)11-4/h5H,1-4H3
InChIKeyQQLRKHSFDISMIF-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.83
Rot. Bonds2

About 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole

4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole (PubChem CID 134224932) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole
PubChem CID134224932
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole
SMILESCSc1nc(C)c(C(C)C)o1
InChIInChI=1S/C8H13NOS/c1-5(2)7-6(3)9-8(10-7)11-4/h5H,1-4H3
InChIKeyQQLRKHSFDISMIF-UHFFFAOYSA-N
XLogP2.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-methylsulfanyl-5-propan-2-yl-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-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole (CID 134224932) is 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole is CSc1nc(C)c(C(C)C)o1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is QQLRKHSFDISMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5(2)7-6(3)9-8(10-7)11-4/h5H,1-4H3.
What are the key properties of 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole?
4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 171.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 134224932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).