1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one

C23H24FNO5 — CID 69124059

IUPAC1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCCOc1cc(-c2nc(C(C(C)=O)c3ccc(F)cc3OCC)co2)ccc1OC
InChIInChI=1S/C23H24FNO5/c1-5-28-20-12-16(24)8-9-17(20)22(14(3)26)18-13-30-23(25-18)15-7-10-19(27-4)21(11-15)29-6-2/h7-13,22H,5-6H2,1-4H3
InChIKeyVKYCCWRGIGGXOL-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.01
Rot. Bonds9

About 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one

1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one (PubChem CID 69124059) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
PubChem CID69124059
Molecular FormulaC23H24FNO5
Molecular Weight413.45 g/mol
Exact Mass413.16
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCCOc1cc(-c2nc(C(C(C)=O)c3ccc(F)cc3OCC)co2)ccc1OC
InChIInChI=1S/C23H24FNO5/c1-5-28-20-12-16(24)8-9-17(20)22(14(3)26)18-13-30-23(25-18)15-7-10-19(27-4)21(11-15)29-6-2/h7-13,22H,5-6H2,1-4H3
InChIKeyVKYCCWRGIGGXOL-UHFFFAOYSA-N
XLogP5.01
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-1-(3-methyl-2-pyridinyl)propan-2-one
CID 69124570
4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
CID 143462575
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
3-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-prop-2-enoxyphenyl)propanal
CID 87705854
2-(3-butoxy-4-methoxyphenyl)-1,3-oxazole-4-carbonyl bromide
CID 118336542
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
CID 69124555
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propoxyphenyl)propan-1-one
CID 151786512
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one (CID 69124059) is 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one is CCOc1cc(-c2nc(C(C(C)=O)c3ccc(F)cc3OCC)co2)ccc1OC.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is VKYCCWRGIGGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO5/c1-5-28-20-12-16(24)8-9-17(20)22(14(3)26)18-13-30-23(25-18)15-7-10-19(27-4)21(11-15)29-6-2/h7-13,22H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one?
1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 413.45 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 69124059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).