(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol

C12H14N2O2S — CID 97009400

IUPAC(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol
SMILESCc1nnc(CSC[C@H](O)c2ccccc2)o1
InChIInChI=1S/C12H14N2O2S/c1-9-13-14-12(16-9)8-17-7-11(15)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3/t11-/m0/s1
InChIKeyAUXFVMIQTJSVDB-NSHDSACASA-N
MW250.32 g/mol
LogP2.34
Rot. Bonds5

About (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol

(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol (PubChem CID 97009400) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol
PubChem CID97009400
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol
SMILESCc1nnc(CSC[C@H](O)c2ccccc2)o1
InChIInChI=1S/C12H14N2O2S/c1-9-13-14-12(16-9)8-17-7-11(15)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3/t11-/m0/s1
InChIKeyAUXFVMIQTJSVDB-NSHDSACASA-N
XLogP2.34
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1-phenylethanol
CID 97014842
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97320765
(1S)-2-[[6-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1-phenylethanol
CID 15441991
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879369
(1S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 40953519
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 63099998
2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 130694723
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol (CID 97009400) is (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol is Cc1nnc(CSC[C@H](O)c2ccccc2)o1.
What is the InChIKey of (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol?
The InChIKey is AUXFVMIQTJSVDB-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-13-14-12(16-9)8-17-7-11(15)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol?
(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol has a molecular weight of 250.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1-phenylethanol is sourced from PubChem (CID 97009400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).