3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran

C25H25F2NO5 — CID 68983957

IUPAC3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran
SMILESC1=COCC1.CCOc1ccccc1C(=O)CCc1coc(-c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C21H19F2NO4.C4H6O/c1-2-26-19-9-4-3-8-17(19)18(25)11-10-15-13-27-20(24-15)14-6-5-7-16(12-14)28-21(22)23;1-2-4-5-3-1/h3-9,12-13,21H,2,10-11H2,1H3;1,3H,2,4H2
InChIKeyADRDDJPBJFQHTG-UHFFFAOYSA-N
MW457.47 g/mol
LogP6.08
Rot. Bonds9

About 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran

3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran (PubChem CID 68983957) has the molecular formula C25H25F2NO5 and a molecular weight of 457.47 g/mol. Its IUPAC name is 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran.

Molecular Properties

Compound Name3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran
PubChem CID68983957
Molecular FormulaC25H25F2NO5
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran
SMILESC1=COCC1.CCOc1ccccc1C(=O)CCc1coc(-c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C21H19F2NO4.C4H6O/c1-2-26-19-9-4-3-8-17(19)18(25)11-10-15-13-27-20(24-15)14-6-5-7-16(12-14)28-21(22)23;1-2-4-5-3-1/h3-9,12-13,21H,2,10-11H2,1H3;1,3H,2,4H2
InChIKeyADRDDJPBJFQHTG-UHFFFAOYSA-N
XLogP6.08
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 142695769
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-one
CID 162553534
3-[2-[4-(2,2-difluoroethoxy)-4-methoxycyclohexa-1,5-dien-1-yl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 164932568
potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;3-[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione;hydrochloride
CID 160574927
potassium;4-(bromomethyl)-2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazole;deuterio(fluoro)methane;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanamine;[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol;2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione;1-(2-ethoxyphenyl)-3-[2-[4-(1-fluoroethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]propan-1-one;isoindol-2-ide-1,3-dione;hydrochloride
CID 164949261
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
1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran?
The IUPAC name of 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran (CID 68983957) is 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran.
What is the SMILES notation for 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran?
The canonical SMILES for 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran is C1=COCC1.CCOc1ccccc1C(=O)CCc1coc(-c2cccc(OC(F)F)c2)n1.
What is the InChIKey of 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran?
The InChIKey is ADRDDJPBJFQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4.C4H6O/c1-2-26-19-9-4-3-8-17(19)18(25)11-10-15-13-27-20(24-15)14-6-5-7-16(12-14)28-21(22)23;1-2-4-5-3-1/h3-9,12-13,21H,2,10-11H2,1H3;1,3H,2,4H2.
What are the key properties of 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran?
3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran has a molecular weight of 457.47 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran is sourced from PubChem (CID 68983957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).