N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H17N3O2S — CID 7801686

IUPACN-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)NC3CC3)o2)c1
InChIInChI=1S/C15H17N3O2S/c1-9-5-10(2)7-11(6-9)14-17-18-15(20-14)21-8-13(19)16-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyWTWGMLXCRVZALR-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.72
Rot. Bonds5

About N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7801686) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7801686
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)NC3CC3)o2)c1
InChIInChI=1S/C15H17N3O2S/c1-9-5-10(2)7-11(6-9)14-17-18-15(20-14)21-8-13(19)16-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyWTWGMLXCRVZALR-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7801686) is N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(C)cc(-c2nnc(SCC(=O)NC3CC3)o2)c1.
What is the InChIKey of N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WTWGMLXCRVZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-5-10(2)7-11(6-9)14-17-18-15(20-14)21-8-13(19)16-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7801686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).