1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone

C15H17NO3 — CID 95466052

IUPAC1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-10(2)9-18-13-6-4-12(5-7-13)15-14(11(3)17)8-16-19-15/h4-8,10H,9H2,1-3H3
InChIKeyIUVSJQOGFYVHEW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.58
Rot. Bonds5

About 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone

1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone (PubChem CID 95466052) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
PubChem CID95466052
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-10(2)9-18-13-6-4-12(5-7-13)15-14(11(3)17)8-16-19-15/h4-8,10H,9H2,1-3H3
InChIKeyIUVSJQOGFYVHEW-UHFFFAOYSA-N
XLogP3.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
4-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylic acid
CID 82488490
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
3-[4-(2-methylpropoxy)phenyl]-6-oxopyran-2-carboxylic acid
CID 82073104
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82293699
1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone
CID 139459019
N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110650232
4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651475
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone (CID 95466052) is 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone?
The InChIKey is IUVSJQOGFYVHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(2)9-18-13-6-4-12(5-7-13)15-14(11(3)17)8-16-19-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone?
1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 95466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).