1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol

C17H15FN2O2S — CID 57395640

IUPAC1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15FN2O2S/c1-17(21,11-23-14-9-7-13(18)8-10-14)16-19-15(20-22-16)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKeyWLDUBSVMPNODNT-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.88
Rot. Bonds5

About 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol

1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 57395640) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID57395640
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15FN2O2S/c1-17(21,11-23-14-9-7-13(18)8-10-14)16-19-15(20-22-16)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKeyWLDUBSVMPNODNT-UHFFFAOYSA-N
XLogP3.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 57395640) is 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol is CC(O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is WLDUBSVMPNODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-17(21,11-23-14-9-7-13(18)8-10-14)16-19-15(20-22-16)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 330.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 57395640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).