4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one

C17H21NO4 — CID 143462575

IUPAC4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
SMILESCCOc1ccc(-c2nc(CCC(C)=O)co2)cc1OCC
InChIInChI=1S/C17H21NO4/c1-4-20-15-9-7-13(10-16(15)21-5-2)17-18-14(11-22-17)8-6-12(3)19/h7,9-11H,4-6,8H2,1-3H3
InChIKeyPDSIZPNMGUJNNZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.66
Rot. Bonds8

About 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one

4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one (PubChem CID 143462575) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one.

Molecular Properties

Compound Name4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
PubChem CID143462575
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
SMILESCCOc1ccc(-c2nc(CCC(C)=O)co2)cc1OCC
InChIInChI=1S/C17H21NO4/c1-4-20-15-9-7-13(10-16(15)21-5-2)17-18-14(11-22-17)8-6-12(3)19/h7,9-11H,4-6,8H2,1-3H3
InChIKeyPDSIZPNMGUJNNZ-UHFFFAOYSA-N
XLogP3.66
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
(E)-4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]-2-(2-propan-2-ylphenyl)but-2-enal
CID 174566113
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
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-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
CID 69124059
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one?
The IUPAC name of 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one (CID 143462575) is 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one.
What is the SMILES notation for 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one?
The canonical SMILES for 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one is CCOc1ccc(-c2nc(CCC(C)=O)co2)cc1OCC.
What is the InChIKey of 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one?
The InChIKey is PDSIZPNMGUJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-20-15-9-7-13(10-16(15)21-5-2)17-18-14(11-22-17)8-6-12(3)19/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one?
4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one has a molecular weight of 303.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one is sourced from PubChem (CID 143462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).