4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole

C12H13NOS — CID 54240728

IUPAC4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESCSCc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C12H13NOS/c1-9-11(8-15-2)14-12(13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyQPUOCLVXTIDXCE-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.51
Rot. Bonds3

About 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole

4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole (PubChem CID 54240728) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
PubChem CID54240728
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESCSCc1oc(-c2ccccc2)nc1C
InChIInChI=1S/C12H13NOS/c1-9-11(8-15-2)14-12(13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyQPUOCLVXTIDXCE-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole (CID 54240728) is 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole is CSCc1oc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The InChIKey is QPUOCLVXTIDXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-11(8-15-2)14-12(13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole?
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole has a molecular weight of 219.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 54240728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).