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

C17H20N4O2S — CID 46266290

IUPACN-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCn1c(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)18-14(22)10-24-16-20-19-15(23-16)13-9-11-7-5-6-8-12(11)21(13)4/h5-9H,10H2,1-4H3,(H,18,22)
InChIKeyGCUIFXKSWZGYTJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.24
Rot. Bonds4

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

N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46266290) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID46266290
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCn1c(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)18-14(22)10-24-16-20-19-15(23-16)13-9-11-7-5-6-8-12(11)21(13)4/h5-9H,10H2,1-4H3,(H,18,22)
InChIKeyGCUIFXKSWZGYTJ-UHFFFAOYSA-N
XLogP3.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 46266307
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1173001
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92901947
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 92901955
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78524451
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CID 8582305
N-(1-naphthalen-2-ylethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761530
N-(tert-butylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2472345
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 112782865
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 46266261
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 46266290) is N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cn1c(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc2ccccc21.
What is the InChIKey of N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GCUIFXKSWZGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-17(2,3)18-14(22)10-24-16-20-19-15(23-16)13-9-11-7-5-6-8-12(11)21(13)4/h5-9H,10H2,1-4H3,(H,18,22).
What are the key properties of N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46266290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).