(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol

C15H14N2O3S — CID 95139630

IUPAC(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
SMILESO[C@H](CSCc1noc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-12(11-5-2-1-3-6-11)9-21-10-14-16-15(20-17-14)13-7-4-8-19-13/h1-8,12,18H,9-10H2/t12-/m1/s1
InChIKeyHPFYUJDMVPIOMU-GFCCVEGCSA-N
MW302.36 g/mol
LogP3.30
Rot. Bonds6

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

(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol (PubChem CID 95139630) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
PubChem CID95139630
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
SMILESO[C@H](CSCc1noc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-12(11-5-2-1-3-6-11)9-21-10-14-16-15(20-17-14)13-7-4-8-19-13/h1-8,12,18H,9-10H2/t12-/m1/s1
InChIKeyHPFYUJDMVPIOMU-GFCCVEGCSA-N
XLogP3.30
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol with MolForge

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Related Compounds

3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30746797
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
5-bromo-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43305771
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 50973647
2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-methoxyaniline
CID 79515206
(1S)-2-[[6-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1-phenylethanol
CID 15441991
5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090088
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
CID 56891299
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219467
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 65137805
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol?
The IUPAC name of (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol (CID 95139630) is (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol is O[C@H](CSCc1noc(-c2ccco2)n1)c1ccccc1.
What is the InChIKey of (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol?
The InChIKey is HPFYUJDMVPIOMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-12(11-5-2-1-3-6-11)9-21-10-14-16-15(20-17-14)13-7-4-8-19-13/h1-8,12,18H,9-10H2/t12-/m1/s1.
What are the key properties of (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol?
(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol has a molecular weight of 302.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol is sourced from PubChem (CID 95139630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).