4-methylsulfanyl-5-phenyl-1,3-oxazole

C10H9NOS — CID 12724679

IUPAC4-methylsulfanyl-5-phenyl-1,3-oxazole
SMILESCSc1ncoc1-c1ccccc1
InChIInChI=1S/C10H9NOS/c1-13-10-9(12-7-11-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyODKBGRMMGPDEPC-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.06
Rot. Bonds2

About 4-methylsulfanyl-5-phenyl-1,3-oxazole

4-methylsulfanyl-5-phenyl-1,3-oxazole (PubChem CID 12724679) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-methylsulfanyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-methylsulfanyl-5-phenyl-1,3-oxazole
PubChem CID12724679
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name4-methylsulfanyl-5-phenyl-1,3-oxazole
SMILESCSc1ncoc1-c1ccccc1
InChIInChI=1S/C10H9NOS/c1-13-10-9(12-7-11-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyODKBGRMMGPDEPC-UHFFFAOYSA-N
XLogP3.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-phenyl-1,3-oxazole?
The IUPAC name of 4-methylsulfanyl-5-phenyl-1,3-oxazole (CID 12724679) is 4-methylsulfanyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-methylsulfanyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-methylsulfanyl-5-phenyl-1,3-oxazole is CSc1ncoc1-c1ccccc1.
What is the InChIKey of 4-methylsulfanyl-5-phenyl-1,3-oxazole?
The InChIKey is ODKBGRMMGPDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-10-9(12-7-11-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-methylsulfanyl-5-phenyl-1,3-oxazole?
4-methylsulfanyl-5-phenyl-1,3-oxazole has a molecular weight of 191.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 12724679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).