2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole

C11H9F2NOS — CID 138985011

IUPAC2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole
SMILESCSc1ccc(-c2cnc(C(F)F)o2)cc1
InChIInChI=1S/C11H9F2NOS/c1-16-8-4-2-7(3-5-8)9-6-14-11(15-9)10(12)13/h2-6,10H,1H3
InChIKeyLJFUOIITLSDTPC-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.00
Rot. Bonds3

About 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole

2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole (PubChem CID 138985011) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole
PubChem CID138985011
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole
SMILESCSc1ccc(-c2cnc(C(F)F)o2)cc1
InChIInChI=1S/C11H9F2NOS/c1-16-8-4-2-7(3-5-8)9-6-14-11(15-9)10(12)13/h2-6,10H,1H3
InChIKeyLJFUOIITLSDTPC-UHFFFAOYSA-N
XLogP4.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole (CID 138985011) is 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole is CSc1ccc(-c2cnc(C(F)F)o2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole?
The InChIKey is LJFUOIITLSDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c1-16-8-4-2-7(3-5-8)9-6-14-11(15-9)10(12)13/h2-6,10H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole?
2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole has a molecular weight of 241.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole is sourced from PubChem (CID 138985011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).