4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol

C13H15NO3S — CID 67845517

IUPAC4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol
SMILESCc1oc(CSc2ccc(O)cc2)nc1CCO
InChIInChI=1S/C13H15NO3S/c1-9-12(6-7-15)14-13(17-9)8-18-11-4-2-10(16)3-5-11/h2-5,15-16H,6-8H2,1H3
InChIKeyCDEXCDHIQXDLMC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.52
Rot. Bonds5

About 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol

4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol (PubChem CID 67845517) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol
PubChem CID67845517
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol
SMILESCc1oc(CSc2ccc(O)cc2)nc1CCO
InChIInChI=1S/C13H15NO3S/c1-9-12(6-7-15)14-13(17-9)8-18-11-4-2-10(16)3-5-11/h2-5,15-16H,6-8H2,1H3
InChIKeyCDEXCDHIQXDLMC-UHFFFAOYSA-N
XLogP2.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol (CID 67845517) is 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol is Cc1oc(CSc2ccc(O)cc2)nc1CCO.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The InChIKey is CDEXCDHIQXDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-12(6-7-15)14-13(17-9)8-18-11-4-2-10(16)3-5-11/h2-5,15-16H,6-8H2,1H3.
What are the key properties of 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol?
4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol has a molecular weight of 265.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 67845517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).