2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate

C14H16N2O3S — CID 126834028

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate
SMILESCc1nnc(CCOC(=O)CCSc2ccccc2)o1
InChIInChI=1S/C14H16N2O3S/c1-11-15-16-13(19-11)7-9-18-14(17)8-10-20-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyXKJBOLORTFVMDC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.65
Rot. Bonds7

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate

2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate (PubChem CID 126834028) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate
PubChem CID126834028
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate
SMILESCc1nnc(CCOC(=O)CCSc2ccccc2)o1
InChIInChI=1S/C14H16N2O3S/c1-11-15-16-13(19-11)7-9-18-14(17)8-10-20-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyXKJBOLORTFVMDC-UHFFFAOYSA-N
XLogP2.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate (CID 126834028) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate is Cc1nnc(CCOC(=O)CCSc2ccccc2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate?
The InChIKey is XKJBOLORTFVMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11-15-16-13(19-11)7-9-18-14(17)8-10-20-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate?
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate has a molecular weight of 292.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 3-phenylsulfanylpropanoate is sourced from PubChem (CID 126834028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).