diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol

C23H23NO2S — CID 101421899

IUPACdiphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol
SMILESCC(C)[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H23NO2S/c1-16(2)20-15-26-22(24-20)21-19(13-14-27-21)23(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,15H2,1-2H3/t20-/m1/s1
InChIKeyVWBUAGMLRMNJTO-HXUWFJFHSA-N
MW377.51 g/mol
LogP4.83
Rot. Bonds5

About diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol

diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol (PubChem CID 101421899) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol.

Molecular Properties

Compound Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol
PubChem CID101421899
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Namediphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol
SMILESCC(C)[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C23H23NO2S/c1-16(2)20-15-26-22(24-20)21-19(13-14-27-21)23(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,15H2,1-2H3/t20-/m1/s1
InChIKeyVWBUAGMLRMNJTO-HXUWFJFHSA-N
XLogP4.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol 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 diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol?
The IUPAC name of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol (CID 101421899) is diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol.
What is the SMILES notation for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol?
The canonical SMILES for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol is CC(C)[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol?
The InChIKey is VWBUAGMLRMNJTO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-16(2)20-15-26-22(24-20)21-19(13-14-27-21)23(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,15H2,1-2H3/t20-/m1/s1.
What are the key properties of diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol?
diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol has a molecular weight of 377.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]methanol is sourced from PubChem (CID 101421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).