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

C21H19F2NO5 — CID 68984934

IUPAC3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC(F)F)c(O)c2)n1
InChIInChI=1S/C21H19F2NO5/c1-2-27-18-6-4-3-5-15(18)16(25)9-8-14-12-28-20(24-14)13-7-10-19(17(26)11-13)29-21(22)23/h3-7,10-12,21,26H,2,8-9H2,1H3
InChIKeyTWWVHVZBYSODQN-UHFFFAOYSA-N
MW403.38 g/mol
LogP4.86
Rot. Bonds9

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

3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one (PubChem CID 68984934) has the molecular formula C21H19F2NO5 and a molecular weight of 403.38 g/mol. Its IUPAC name is 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
PubChem CID68984934
Molecular FormulaC21H19F2NO5
Molecular Weight403.38 g/mol
Exact Mass403.12
IUPAC Name3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC(F)F)c(O)c2)n1
InChIInChI=1S/C21H19F2NO5/c1-2-27-18-6-4-3-5-15(18)16(25)9-8-14-12-28-20(24-14)13-7-10-19(17(26)11-13)29-21(22)23/h3-7,10-12,21,26H,2,8-9H2,1H3
InChIKeyTWWVHVZBYSODQN-UHFFFAOYSA-N
XLogP4.86
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 142695769
3-[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
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-[3-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one;2,3-dihydrofuran
CID 68983957
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
CID 175553150
4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
CID 143462575
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
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
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
1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one (CID 68984934) is 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one is CCOc1ccccc1C(=O)CCc1coc(-c2ccc(OC(F)F)c(O)c2)n1.
What is the InChIKey of 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The InChIKey is TWWVHVZBYSODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO5/c1-2-27-18-6-4-3-5-15(18)16(25)9-8-14-12-28-20(24-14)13-7-10-19(17(26)11-13)29-21(22)23/h3-7,10-12,21,26H,2,8-9H2,1H3.
What are the key properties of 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one has a molecular weight of 403.38 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 68984934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).