[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate

C24H18FNO3 — CID 32688963

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FNO3/c25-20-13-11-19(12-14-20)23-26-21(15-28-23)16-29-24(27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22H,16H2
InChIKeyIFJOXIFHOYJXBA-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.36
Rot. Bonds6

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate (PubChem CID 32688963) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
PubChem CID32688963
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FNO3/c25-20-13-11-19(12-14-20)23-26-21(15-28-23)16-29-24(27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22H,16H2
InChIKeyIFJOXIFHOYJXBA-UHFFFAOYSA-N
XLogP5.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55543684
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 55543502
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55942310
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
2-amino-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414263
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate (CID 32688963) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate is O=C(OCc1coc(-c2ccc(F)cc2)n1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate?
The InChIKey is IFJOXIFHOYJXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-20-13-11-19(12-14-20)23-26-21(15-28-23)16-29-24(27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22H,16H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate has a molecular weight of 387.41 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate is sourced from PubChem (CID 32688963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).