(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol

C16H22N2O2S — CID 95270214

IUPAC(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol
SMILESC[C@@H](SC[C@H](O)c1ccccc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H22N2O2S/c1-11(14-17-15(18-20-14)16(2,3)4)21-10-13(19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3/t11-,13+/m1/s1
InChIKeyQSQICFOPRXNGHQ-YPMHNXCESA-N
MW306.43 g/mol
LogP3.89
Rot. Bonds5

About (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol

(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol (PubChem CID 95270214) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol
PubChem CID95270214
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol
SMILESC[C@@H](SC[C@H](O)c1ccccc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H22N2O2S/c1-11(14-17-15(18-20-14)16(2,3)4)21-10-13(19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3/t11-,13+/m1/s1
InChIKeyQSQICFOPRXNGHQ-YPMHNXCESA-N
XLogP3.89
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol?
The IUPAC name of (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol (CID 95270214) is (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol?
The canonical SMILES for (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol is C[C@@H](SC[C@H](O)c1ccccc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol?
The InChIKey is QSQICFOPRXNGHQ-YPMHNXCESA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(14-17-15(18-20-14)16(2,3)4)21-10-13(19)12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol?
(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol has a molecular weight of 306.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol is sourced from PubChem (CID 95270214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).