N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide

C17H15N3O2S — CID 7295015

IUPACN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCSc1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O2S/c1-23-14-10-6-5-9-13(14)16-19-20-17(22-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyOFDCXMXWLWCHRC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.64
Rot. Bonds5

About N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide

N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (PubChem CID 7295015) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
PubChem CID7295015
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
SMILESCSc1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O2S/c1-23-14-10-6-5-9-13(14)16-19-20-17(22-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyOFDCXMXWLWCHRC-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide (CID 7295015) is N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is CSc1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
The InChIKey is OFDCXMXWLWCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23-14-10-6-5-9-13(14)16-19-20-17(22-16)18-15(21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide?
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 7295015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).