2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole

C13H13ClN2O2S — CID 95300425

IUPAC2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(SC[C@H]2CCCO2)o1
InChIInChI=1S/C13H13ClN2O2S/c14-11-6-2-1-5-10(11)12-15-16-13(18-12)19-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1
InChIKeyRRXXMHACIQJQDI-SECBINFHSA-N
MW296.78 g/mol
LogP3.66
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 95300425) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID95300425
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(SC[C@H]2CCCO2)o1
InChIInChI=1S/C13H13ClN2O2S/c14-11-6-2-1-5-10(11)12-15-16-13(18-12)19-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1
InChIKeyRRXXMHACIQJQDI-SECBINFHSA-N
XLogP3.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 95300425) is 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(SC[C@H]2CCCO2)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is RRXXMHACIQJQDI-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-11-6-2-1-5-10(11)12-15-16-13(18-12)19-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 296.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).