3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol

C15H19NO2S — CID 103706114

IUPAC3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
SMILESCc1ccc(-c2nc(CSC(C)C(C)O)co2)cc1
InChIInChI=1S/C15H19NO2S/c1-10-4-6-13(7-5-10)15-16-14(8-18-15)9-19-12(3)11(2)17/h4-8,11-12,17H,9H2,1-3H3
InChIKeyYRUAQPDKAURDOH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.65
Rot. Bonds5

About 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol

3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol (PubChem CID 103706114) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
PubChem CID103706114
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
SMILESCc1ccc(-c2nc(CSC(C)C(C)O)co2)cc1
InChIInChI=1S/C15H19NO2S/c1-10-4-6-13(7-5-10)15-16-14(8-18-15)9-19-12(3)11(2)17/h4-8,11-12,17H,9H2,1-3H3
InChIKeyYRUAQPDKAURDOH-UHFFFAOYSA-N
XLogP3.65
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
2-amino-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414264
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,5-dimethylphenyl)propanamide
CID 46581063
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
CID 97243557
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
CID 66227894
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
CID 62639418
4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 66290706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol (CID 103706114) is 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol is Cc1ccc(-c2nc(CSC(C)C(C)O)co2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol?
The InChIKey is YRUAQPDKAURDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-4-6-13(7-5-10)15-16-14(8-18-15)9-19-12(3)11(2)17/h4-8,11-12,17H,9H2,1-3H3.
What are the key properties of 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol?
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol is sourced from PubChem (CID 103706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).