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

C22H23NO5 — CID 142695769

IUPAC3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(-c2nc(CCC(=O)c3ccccc3OCC)co2)cc1O
InChIInChI=1S/C22H23NO5/c1-3-26-20-8-6-5-7-17(20)18(24)11-10-16-14-28-22(23-16)15-9-12-21(27-4-2)19(25)13-15/h5-9,12-14,25H,3-4,10-11H2,1-2H3
InChIKeyBTBAIUJWEHDVAO-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.66
Rot. Bonds9

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

3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one (PubChem CID 142695769) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
PubChem CID142695769
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(-c2nc(CCC(=O)c3ccccc3OCC)co2)cc1O
InChIInChI=1S/C22H23NO5/c1-3-26-20-8-6-5-7-17(20)18(24)11-10-16-14-28-22(23-16)15-9-12-21(27-4-2)19(25)13-15/h5-9,12-14,25H,3-4,10-11H2,1-2H3
InChIKeyBTBAIUJWEHDVAO-UHFFFAOYSA-N
XLogP4.66
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
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-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68985754
4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
CID 143462575
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
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
CID 141337828
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
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
(E)-4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]-2-(2-propan-2-ylphenyl)but-2-enal
CID 174566113
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one (CID 142695769) is 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one is CCOc1ccc(-c2nc(CCC(=O)c3ccccc3OCC)co2)cc1O.
What is the InChIKey of 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
The InChIKey is BTBAIUJWEHDVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-26-20-8-6-5-7-17(20)18(24)11-10-16-14-28-22(23-16)15-9-12-21(27-4-2)19(25)13-15/h5-9,12-14,25H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one?
3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one has a molecular weight of 381.43 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 142695769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).