1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole

C26H33F2NO5 — CID 143566351

IUPAC1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC.CC(=O)c1ccccc1OC(F)F.CCc1coc(-c2ccc(OC)c(OC(C)C)c2)n1
InChIInChI=1S/C15H19NO3.C9H8F2O2.C2H6/c1-5-12-9-18-15(16-12)11-6-7-13(17-4)14(8-11)19-10(2)3;1-6(12)7-4-2-3-5-8(7)13-9(10)11;1-2/h6-10H,5H2,1-4H3;2-5,9H,1H3;1-2H3
InChIKeyFHTCQFHYOOLITM-UHFFFAOYSA-N
MW477.55 g/mol
LogP7.22
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole

1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole (PubChem CID 143566351) has the molecular formula C26H33F2NO5 and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
PubChem CID143566351
Molecular FormulaC26H33F2NO5
Molecular Weight477.55 g/mol
Exact Mass477.23
IUPAC Name1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC.CC(=O)c1ccccc1OC(F)F.CCc1coc(-c2ccc(OC)c(OC(C)C)c2)n1
InChIInChI=1S/C15H19NO3.C9H8F2O2.C2H6/c1-5-12-9-18-15(16-12)11-6-7-13(17-4)14(8-11)19-10(2)3;1-6(12)7-4-2-3-5-8(7)13-9(10)11;1-2/h6-10H,5H2,1-4H3;2-5,9H,1H3;1-2H3
InChIKeyFHTCQFHYOOLITM-UHFFFAOYSA-N
XLogP7.22
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
CID 122387469
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175553169
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
(E)-3-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]-1-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 68982281
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
3-[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one
CID 69124612
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
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole (CID 143566351) is 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole is CC.CC(=O)c1ccccc1OC(F)F.CCc1coc(-c2ccc(OC)c(OC(C)C)c2)n1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole?
The InChIKey is FHTCQFHYOOLITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C9H8F2O2.C2H6/c1-5-12-9-18-15(16-12)11-6-7-13(17-4)14(8-11)19-10(2)3;1-6(12)7-4-2-3-5-8(7)13-9(10)11;1-2/h6-10H,5H2,1-4H3;2-5,9H,1H3;1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole?
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole has a molecular weight of 477.55 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole is sourced from PubChem (CID 143566351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).