propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C14H16N2O4S — CID 2281095

IUPACpropyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C14H16N2O4S/c1-3-8-19-12(17)9-21-14-16-15-13(20-14)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyFHJNEYAUNNZBMP-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.79
Rot. Bonds7

About propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 2281095) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namepropyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID2281095
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namepropyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C14H16N2O4S/c1-3-8-19-12(17)9-21-14-16-15-13(20-14)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyFHJNEYAUNNZBMP-UHFFFAOYSA-N
XLogP2.79
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 2281095) is propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is CCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is FHJNEYAUNNZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-8-19-12(17)9-21-14-16-15-13(20-14)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 308.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 2281095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).