N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H20N4O3S — CID 78807733

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)o1
InChIInChI=1S/C18H20N4O3S/c1-11-7-5-6-8-12(11)16-20-21-17(24-16)26-10-14(23)19-15-9-13(22-25-15)18(2,3)4/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyWGFDFBQCKFRYTD-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.06
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 78807733) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID78807733
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)o1
InChIInChI=1S/C18H20N4O3S/c1-11-7-5-6-8-12(11)16-20-21-17(24-16)26-10-14(23)19-15-9-13(22-25-15)18(2,3)4/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyWGFDFBQCKFRYTD-UHFFFAOYSA-N
XLogP4.06
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
4-tert-butyl-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683145
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682940
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600871
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7417846
N-(3-ethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3973733
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78524451
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 28580849
N-[4-(dimethylamino)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2964223

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 78807733) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)o1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WGFDFBQCKFRYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-7-5-6-8-12(11)16-20-21-17(24-16)26-10-14(23)19-15-9-13(22-25-15)18(2,3)4/h5-9H,10H2,1-4H3,(H,19,23).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 78807733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).