2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

C20H24N4O2S — CID 78503430

IUPAC2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C)(C)c1ccc(-c2nnc(SCC(=O)NC(C)(C#N)C3CC3)o2)cc1
InChIInChI=1S/C20H24N4O2S/c1-19(2,3)14-7-5-13(6-8-14)17-23-24-18(26-17)27-11-16(25)22-20(4,12-21)15-9-10-15/h5-8,15H,9-11H2,1-4H3,(H,22,25)
InChIKeyNFBVCPZRWPHOOD-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.93
Rot. Bonds6

About 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 78503430) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID78503430
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C)(C)c1ccc(-c2nnc(SCC(=O)NC(C)(C#N)C3CC3)o2)cc1
InChIInChI=1S/C20H24N4O2S/c1-19(2,3)14-7-5-13(6-8-14)17-23-24-18(26-17)27-11-16(25)22-20(4,12-21)15-9-10-15/h5-8,15H,9-11H2,1-4H3,(H,22,25)
InChIKeyNFBVCPZRWPHOOD-UHFFFAOYSA-N
XLogP3.93
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 2466964
N-(1-cyano-1-cyclopropylethyl)-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766033
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9362424
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7500473
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7562747
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8024703
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3171542
cyclohexyl 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 3131042
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2086613
1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 78706857
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 3147952

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 78503430) is 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC(C)(C#N)C3CC3)o2)cc1.
What is the InChIKey of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is NFBVCPZRWPHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-19(2,3)14-7-5-13(6-8-14)17-23-24-18(26-17)27-11-16(25)22-20(4,12-21)15-9-10-15/h5-8,15H,9-11H2,1-4H3,(H,22,25).
What are the key properties of 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 78503430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).