ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide

C14H21N3O2S — CID 177180387

IUPACethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC.CC.CSc1nnc(-c2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C10H9N3O2S.2C2H6/c1-16-10-13-12-9(15-10)7-4-2-6(3-5-7)8(11)14;2*1-2/h2-5H,1H3,(H2,11,14);2*1-2H3
InChIKeyADOYSGZEELVSFM-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.61
Rot. Bonds3

About ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide

ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 177180387) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Nameethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID177180387
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Nameethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC.CC.CSc1nnc(-c2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C10H9N3O2S.2C2H6/c1-16-10-13-12-9(15-10)7-4-2-6(3-5-7)8(11)14;2*1-2/h2-5H,1H3,(H2,11,14);2*1-2H3
InChIKeyADOYSGZEELVSFM-UHFFFAOYSA-N
XLogP3.61
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenethiol
CID 166491662
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenethiol
CID 166491663
tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 84818701
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 139473568
4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 42902457
4-[[(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]benzamide
CID 7907106
tert-butyl N-[2-[2-[2-[2-[[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135860
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484150
(2S)-1-[4-(difluoromethoxy)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7632998
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370

Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide (CID 177180387) is ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide is CC.CC.CSc1nnc(-c2ccc(C(N)=O)cc2)o1.
What is the InChIKey of ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ADOYSGZEELVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S.2C2H6/c1-16-10-13-12-9(15-10)7-4-2-6(3-5-7)8(11)14;2*1-2/h2-5H,1H3,(H2,11,14);2*1-2H3.
What are the key properties of ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide?
ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 295.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 177180387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).