4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide

C19H19N3O4S — CID 7374199

IUPAC4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-19(2,3)13-8-6-12(7-9-13)16(24)20-15(23)11-27-18-22-21-17(26-18)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,20,23,24)
InChIKeyOXCCKGFVAKUTSV-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.68
Rot. Bonds5

About 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide

4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide (PubChem CID 7374199) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
PubChem CID7374199
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-19(2,3)13-8-6-12(7-9-13)16(24)20-15(23)11-27-18-22-21-17(26-18)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,20,23,24)
InChIKeyOXCCKGFVAKUTSV-UHFFFAOYSA-N
XLogP3.68
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683145
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7374133
N-(5-tert-butyl-2-methoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2402004
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8663194
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
N-(2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2972145
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 7808654
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
N'-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 18074923

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide (CID 7374199) is 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide is CC(C)(C)c1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide?
The InChIKey is OXCCKGFVAKUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-19(2,3)13-8-6-12(7-9-13)16(24)20-15(23)11-27-18-22-21-17(26-18)14-5-4-10-25-14/h4-10H,11H2,1-3H3,(H,20,23,24).
What are the key properties of 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide?
4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide is sourced from PubChem (CID 7374199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).