3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one

C14H15NO2 — CID 164836493

IUPAC3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
SMILESCC(C)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H15NO2/c1-10(2)13(16)8-12-9-17-14(15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyCLZQZZBNIQGREP-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.11
Rot. Bonds4

About 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one

3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one (PubChem CID 164836493) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
PubChem CID164836493
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
SMILESCC(C)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C14H15NO2/c1-10(2)13(16)8-12-9-17-14(15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyCLZQZZBNIQGREP-UHFFFAOYSA-N
XLogP3.11
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
N-(5-methylhexan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 42886686
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-[1-(2-methylphenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51262103
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
2-(2-phenyl-1,3-oxazol-4-yl)-1-(2-propan-2-ylimino-1-pyridinyl)ethanone
CID 51112105
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one (CID 164836493) is 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one is CC(C)C(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one?
The InChIKey is CLZQZZBNIQGREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(2)13(16)8-12-9-17-14(15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one?
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one has a molecular weight of 229.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one is sourced from PubChem (CID 164836493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).