4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

C20H34N4O2S — CID 36559759

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCC2(N3CCSCC3)CCCC2)n1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)18-22-17(26-23-18)8-6-7-16(25)21-15-20(9-4-5-10-20)24-11-13-27-14-12-24/h4-15H2,1-3H3,(H,21,25)
InChIKeyMFEWTOPKRDOGLM-UHFFFAOYSA-N
MW394.59 g/mol
LogP3.17
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (PubChem CID 36559759) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
PubChem CID36559759
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NCC2(N3CCSCC3)CCCC2)n1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)18-22-17(26-23-18)8-6-7-16(25)21-15-20(9-4-5-10-20)24-11-13-27-14-12-24/h4-15H2,1-3H3,(H,21,25)
InChIKeyMFEWTOPKRDOGLM-UHFFFAOYSA-N
XLogP3.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide with MolForge

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559246
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 38416580
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 52717503

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide (CID 36559759) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is CC(C)(C)c1noc(CCCC(=O)NCC2(N3CCSCC3)CCCC2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
The InChIKey is MFEWTOPKRDOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-19(2,3)18-22-17(26-23-18)8-6-7-16(25)21-15-20(9-4-5-10-20)24-11-13-27-14-12-24/h4-15H2,1-3H3,(H,21,25).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide has a molecular weight of 394.59 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 36559759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).