4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one

C13H13NO3 — CID 54134483

IUPAC4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one
SMILESO=C(CCCO)c1cnoc1-c1ccccc1
InChIInChI=1S/C13H13NO3/c15-8-4-7-12(16)11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2
InChIKeyNWRZPSTWHIAQHM-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.30
Rot. Bonds5

About 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one

4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one (PubChem CID 54134483) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one
PubChem CID54134483
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one
SMILESO=C(CCCO)c1cnoc1-c1ccccc1
InChIInChI=1S/C13H13NO3/c15-8-4-7-12(16)11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2
InChIKeyNWRZPSTWHIAQHM-UHFFFAOYSA-N
XLogP2.30
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
CID 22221097
N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 110649323
N-methyl-N,5-diphenyl-1,2-oxazole-4-carboxamide
CID 110649623
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 110409938
5-phenyl-1,2-oxazol-4-amine
CID 45117984
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 131929435
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
CID 110649624
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 131933853
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
5-(4-methylsulfonylphenyl)-1,2-oxazole-4-carboxylic acid
CID 80502864

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one (CID 54134483) is 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one is O=C(CCCO)c1cnoc1-c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one?
The InChIKey is NWRZPSTWHIAQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-8-4-7-12(16)11-9-14-17-13(11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2.
What are the key properties of 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one?
4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one has a molecular weight of 231.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one is sourced from PubChem (CID 54134483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).