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

C11H9F2NO2 — CID 154455191

IUPAC2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(F)F)o2)cc1
InChIInChI=1S/C11H9F2NO2/c1-15-8-4-2-7(3-5-8)9-6-14-11(16-9)10(12)13/h2-6,10H,1H3
InChIKeyGHJHKERSLBDIRA-UHFFFAOYSA-N
MW225.19 g/mol
LogP3.29
Rot. Bonds3

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

2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 154455191) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID154455191
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(F)F)o2)cc1
InChIInChI=1S/C11H9F2NO2/c1-15-8-4-2-7(3-5-8)9-6-14-11(16-9)10(12)13/h2-6,10H,1H3
InChIKeyGHJHKERSLBDIRA-UHFFFAOYSA-N
XLogP3.29
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 53.29
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-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole (CID 154455191) is 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(C(F)F)o2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is GHJHKERSLBDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-15-8-4-2-7(3-5-8)9-6-14-11(16-9)10(12)13/h2-6,10H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole?
2-(difluoromethyl)-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 225.19 g/mol, XLogP of 3.29, 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-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 154455191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).