2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone

C11H10N2O2S — CID 60626375

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESCc1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C11H10N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyHPWLEZDJCPZKTE-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.35
Rot. Bonds4

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone (PubChem CID 60626375) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
PubChem CID60626375
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESCc1nnc(SCC(=O)c2ccccc2)o1
InChIInChI=1S/C11H10N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyHPWLEZDJCPZKTE-UHFFFAOYSA-N
XLogP2.35
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone (CID 60626375) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone is Cc1nnc(SCC(=O)c2ccccc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
The InChIKey is HPWLEZDJCPZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone has a molecular weight of 234.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone is sourced from PubChem (CID 60626375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).