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

C11H19N3O2S — CID 4683481

IUPACN-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCc1nnc(SCCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C11H19N3O2S/c1-5-9-13-14-10(16-9)17-7-6-8(15)12-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeySJWAAFJDMZOENV-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.03
Rot. Bonds5

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

N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 4683481) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID4683481
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCc1nnc(SCCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C11H19N3O2S/c1-5-9-13-14-10(16-9)17-7-6-8(15)12-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeySJWAAFJDMZOENV-UHFFFAOYSA-N
XLogP2.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9374378
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
N-tert-butyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4655394
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-4-ylacetamide
CID 4044910
4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 8707982
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3570740
N-(3,5-dimethoxyphenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4272884
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 8708400
N-(2,4-difluorophenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3917964
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1173001
N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 102630633
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 9484229

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 4683481) is N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CCc1nnc(SCCC(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is SJWAAFJDMZOENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-9-13-14-10(16-9)17-7-6-8(15)12-11(2,3)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 257.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4683481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).