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

C15H17NO3 — CID 82301037

IUPAC1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-10(17)13-9-16-19-14(13)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3
InChIKeyIPNRLTCKFSWIRQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.72
Rot. Bonds3

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

1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone (PubChem CID 82301037) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
PubChem CID82301037
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-10(17)13-9-16-19-14(13)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3
InChIKeyIPNRLTCKFSWIRQ-UHFFFAOYSA-N
XLogP3.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
CID 95466052
1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
CID 82281258
1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone
CID 115093686
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
CID 84652672
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
CID 95478159
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
(4-acetyl-1,2-oxazol-5-yl)-trimethylazanium
CID 123689319
5-(4-methylsulfonylphenyl)-1,2-oxazole-4-carboxylic acid
CID 80502864
N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110649994
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone (CID 82301037) is 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone?
The InChIKey is IPNRLTCKFSWIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(17)13-9-16-19-14(13)11-5-7-12(8-6-11)18-15(2,3)4/h5-9H,1-4H3.
What are the key properties of 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone?
1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 82301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).