4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole

C18H16F3NO — CID 11723460

IUPAC4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C18H16F3NO/c1-17(2)11-23-16(22-17)15-6-4-3-5-14(15)12-7-9-13(10-8-12)18(19,20)21/h3-10H,11H2,1-2H3
InChIKeyBYYVGXDRAQDKEK-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.93
Rot. Bonds2

About 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole (PubChem CID 11723460) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole
PubChem CID11723460
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C18H16F3NO/c1-17(2)11-23-16(22-17)15-6-4-3-5-14(15)12-7-9-13(10-8-12)18(19,20)21/h3-10H,11H2,1-2H3
InChIKeyBYYVGXDRAQDKEK-UHFFFAOYSA-N
XLogP4.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole (CID 11723460) is 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole is CC1(C)COC(c2ccccc2-c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole?
The InChIKey is BYYVGXDRAQDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-17(2)11-23-16(22-17)15-6-4-3-5-14(15)12-7-9-13(10-8-12)18(19,20)21/h3-10H,11H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole has a molecular weight of 319.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 11723460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).