dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol

C24H21NO2S — CID 13147275

IUPACdibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
SMILESCC1(C)COC(c2ccccc2C(O)c2cccc3c2sc2ccccc23)=N1
InChIInChI=1S/C24H21NO2S/c1-24(2)14-27-23(25-24)18-10-4-3-9-16(18)21(26)19-12-7-11-17-15-8-5-6-13-20(15)28-22(17)19/h3-13,21,26H,14H2,1-2H3
InChIKeyUOGAKJHWFPCBMV-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.69
Rot. Bonds3

About dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol

dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol (PubChem CID 13147275) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Namedibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
PubChem CID13147275
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Namedibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol
SMILESCC1(C)COC(c2ccccc2C(O)c2cccc3c2sc2ccccc23)=N1
InChIInChI=1S/C24H21NO2S/c1-24(2)14-27-23(25-24)18-10-4-3-9-16(18)21(26)19-12-7-11-17-15-8-5-6-13-20(15)28-22(17)19/h3-13,21,26H,14H2,1-2H3
InChIKeyUOGAKJHWFPCBMV-UHFFFAOYSA-N
XLogP5.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
The IUPAC name of dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol (CID 13147275) is dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol.
What is the SMILES notation for dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
The canonical SMILES for dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol is CC1(C)COC(c2ccccc2C(O)c2cccc3c2sc2ccccc23)=N1.
What is the InChIKey of dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
The InChIKey is UOGAKJHWFPCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-24(2)14-27-23(25-24)18-10-4-3-9-16(18)21(26)19-12-7-11-17-15-8-5-6-13-20(15)28-22(17)19/h3-13,21,26H,14H2,1-2H3.
What are the key properties of dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol?
dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol has a molecular weight of 387.50 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-yl-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methanol is sourced from PubChem (CID 13147275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).