1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone

C19H17F2NO2 — CID 11244366

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
SMILESCC1(C)COC(C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C19H17F2NO2/c1-19(2)11-24-18(22-19)17(23)16(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeySINPRRBURREXIL-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.87
Rot. Bonds4

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone (PubChem CID 11244366) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
PubChem CID11244366
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
SMILESCC1(C)COC(C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)=N1
InChIInChI=1S/C19H17F2NO2/c1-19(2)11-24-18(22-19)17(23)16(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeySINPRRBURREXIL-UHFFFAOYSA-N
XLogP3.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethyl-5H-1,3-oxazol-2-yl)-(3-fluorophenyl)methanone
CID 121016013
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-diphenylethanone
CID 15892645
(2R)-3-(4,5-dihydro-1,3-oxazole-2-carbonyl)-2-methyl-5-phenylpentanal
CID 174903196
(2R)-1-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethyl-4-phenylbutan-1-one
CID 175319286
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(4-methylphenyl)ethanone
CID 15892642
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,3-diphenylpropan-1-one
CID 86102956

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone (CID 11244366) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone is CC1(C)COC(C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)=N1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone?
The InChIKey is SINPRRBURREXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-19(2)11-24-18(22-19)17(23)16(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone has a molecular weight of 329.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone is sourced from PubChem (CID 11244366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).