4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol

C16H15NO2S — CID 115945183

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESCc1nc(CSc2ccc(O)c3ccccc23)oc1C
InChIInChI=1S/C16H15NO2S/c1-10-11(2)19-16(17-10)9-20-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8,18H,9H2,1-2H3
InChIKeyJOMKZLVLTYDPRB-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.44
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 115945183) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID115945183
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESCc1nc(CSc2ccc(O)c3ccccc23)oc1C
InChIInChI=1S/C16H15NO2S/c1-10-11(2)19-16(17-10)9-20-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8,18H,9H2,1-2H3
InChIKeyJOMKZLVLTYDPRB-UHFFFAOYSA-N
XLogP4.44
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol (CID 115945183) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol is Cc1nc(CSc2ccc(O)c3ccccc23)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is JOMKZLVLTYDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-11(2)19-16(17-10)9-20-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 285.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).