[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol

C22H21NO2S2 — CID 101421902

IUPAC[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol
SMILESCSC[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H21NO2S2/c1-26-15-18-14-25-21(23-18)20-19(12-13-27-20)22(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18,24H,14-15H2,1H3/t18-/m1/s1
InChIKeyAGRYGBRYBXKDMQ-GOSISDBHSA-N
MW395.55 g/mol
LogP4.54
Rot. Bonds6

About [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol

[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol (PubChem CID 101421902) has the molecular formula C22H21NO2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol
PubChem CID101421902
Molecular FormulaC22H21NO2S2
Molecular Weight395.55 g/mol
Exact Mass395.10
IUPAC Name[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol
SMILESCSC[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H21NO2S2/c1-26-15-18-14-25-21(23-18)20-19(12-13-27-20)22(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18,24H,14-15H2,1H3/t18-/m1/s1
InChIKeyAGRYGBRYBXKDMQ-GOSISDBHSA-N
XLogP4.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol?
The IUPAC name of [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol (CID 101421902) is [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol.
What is the SMILES notation for [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol?
The canonical SMILES for [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol is CSC[C@H]1COC(c2sccc2C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol?
The InChIKey is AGRYGBRYBXKDMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21NO2S2/c1-26-15-18-14-25-21(23-18)20-19(12-13-27-20)22(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18,24H,14-15H2,1H3/t18-/m1/s1.
What are the key properties of [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol?
[2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol has a molecular weight of 395.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-4-(methylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]thiophen-3-yl]-diphenylmethanol is sourced from PubChem (CID 101421902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).