3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole

C11H11F2NO — CID 174876678

IUPAC3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole
SMILESCC1(C)CC(c2cc(F)cc(F)c2)=NO1
InChIInChI=1S/C11H11F2NO/c1-11(2)6-10(14-15-11)7-3-8(12)5-9(13)4-7/h3-5H,6H2,1-2H3
InChIKeyNRGHSGFTDNFWLH-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.87
Rot. Bonds1

About 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole

3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 174876678) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole
PubChem CID174876678
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole
SMILESCC1(C)CC(c2cc(F)cc(F)c2)=NO1
InChIInChI=1S/C11H11F2NO/c1-11(2)6-10(14-15-11)7-3-8(12)5-9(13)4-7/h3-5H,6H2,1-2H3
InChIKeyNRGHSGFTDNFWLH-UHFFFAOYSA-N
XLogP2.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole (CID 174876678) is 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole is CC1(C)CC(c2cc(F)cc(F)c2)=NO1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is NRGHSGFTDNFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-11(2)6-10(14-15-11)7-3-8(12)5-9(13)4-7/h3-5H,6H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole?
3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 211.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 174876678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).