1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C13H14N2O2S — CID 6494323

IUPAC1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCCc1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O2S/c1-2-6-12-14-15-13(17-12)18-9-11(16)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyRCAIALHXSSHSQV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.00
Rot. Bonds6

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

1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 6494323) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID6494323
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCCc1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C13H14N2O2S/c1-2-6-12-14-15-13(17-12)18-9-11(16)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyRCAIALHXSSHSQV-UHFFFAOYSA-N
XLogP3.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 6494323) is 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CCCc1nnc(SCC(=O)c2ccccc2)o1.
What is the InChIKey of 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is RCAIALHXSSHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-6-12-14-15-13(17-12)18-9-11(16)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 262.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 6494323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).