2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol

C13H15NO2S — CID 113244583

IUPAC2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H15NO2S/c1-10(8-15)17-9-12-7-13(16-14-12)11-5-3-2-4-6-11/h2-7,10,15H,8-9H2,1H3
InChIKeyGQZDSHZPIDGKJJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.96
Rot. Bonds5

About 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol

2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol (PubChem CID 113244583) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
PubChem CID113244583
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H15NO2S/c1-10(8-15)17-9-12-7-13(16-14-12)11-5-3-2-4-6-11/h2-7,10,15H,8-9H2,1H3
InChIKeyGQZDSHZPIDGKJJ-UHFFFAOYSA-N
XLogP2.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]butanoic acid
CID 105353847
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111455140
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590242
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220273
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 110923403
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
3-bromo-4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 82838568

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol (CID 113244583) is 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol is CC(CO)SCc1cc(-c2ccccc2)on1.
What is the InChIKey of 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol?
The InChIKey is GQZDSHZPIDGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10(8-15)17-9-12-7-13(16-14-12)11-5-3-2-4-6-11/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol?
2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 113244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).