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

C12H21N3O2S — CID 52639316

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2S/c1-6-15(7-2)9(16)8-18-11-14-13-10(17-11)12(3,4)5/h6-8H2,1-5H3
InChIKeyKHBAXIAMTDCEBE-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.33
Rot. Bonds5

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (PubChem CID 52639316) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
PubChem CID52639316
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2S/c1-6-15(7-2)9(16)8-18-11-14-13-10(17-11)12(3,4)5/h6-8H2,1-5H3
InChIKeyKHBAXIAMTDCEBE-UHFFFAOYSA-N
XLogP2.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 23006648
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60519637
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
CID 87019855
tert-butyl N-[(1S)-1-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate
CID 7509706
ethyl 4-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 55866645
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 9380288
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
CID 53346721
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
CID 6603485
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 55765204
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925330

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide (CID 52639316) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is KHBAXIAMTDCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-6-15(7-2)9(16)8-18-11-14-13-10(17-11)12(3,4)5/h6-8H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 271.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 52639316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).