2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole

C19H18F3NO — CID 21406752

IUPAC2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C1=NC(C)(C)CO1)c1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C19H18F3NO/c1-11(18-23-19(2,3)10-24-18)12-4-6-14(16(21)8-12)15-7-5-13(20)9-17(15)22/h4-9,11H,10H2,1-3H3
InChIKeyBVJOIZWKLPPAEC-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.08
Rot. Bonds3

About 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole

2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 21406752) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID21406752
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C1=NC(C)(C)CO1)c1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C19H18F3NO/c1-11(18-23-19(2,3)10-24-18)12-4-6-14(16(21)8-12)15-7-5-13(20)9-17(15)22/h4-9,11H,10H2,1-3H3
InChIKeyBVJOIZWKLPPAEC-UHFFFAOYSA-N
XLogP5.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
4,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]-5H-1,3-oxazole
CID 11723460
2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 19004347
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
2-[[3-chloro-4-(2,4-difluorophenyl)phenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 21406744
2-[2-fluoro-6-(2,4,6-trimethylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 54450775
2-[1-(3-Fluoro-4-phenylphenyl)ethyl]-4,5-dihydro-1,3-oxazole
CID 68148824
4,4-dimethyl-2-[2,3,4-trifluoro-6-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 88154299
2-[[4-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101479642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole (CID 21406752) is 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole is CC(C1=NC(C)(C)CO1)c1ccc(-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BVJOIZWKLPPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-11(18-23-19(2,3)10-24-18)12-4-6-14(16(21)8-12)15-7-5-13(20)9-17(15)22/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 333.35 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,4-difluorophenyl)-3-fluorophenyl]ethyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 21406752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).