2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

C16H28N4O4S — CID 127843888

IUPAC2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(NC(C)c1nc(C(C)(C)C)no1)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N4O4S/c1-10(13-18-15(19-24-13)16(3,4)5)17-11(2)14(21)20(6)12-7-8-25(22,23)9-12/h10-12,17H,7-9H2,1-6H3
InChIKeyNFSXCRJTTOBDLR-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.05
Rot. Bonds5

About 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 127843888) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID127843888
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Name2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(NC(C)c1nc(C(C)(C)C)no1)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H28N4O4S/c1-10(13-18-15(19-24-13)16(3,4)5)17-11(2)14(21)20(6)12-7-8-25(22,23)9-12/h10-12,17H,7-9H2,1-6H3
InChIKeyNFSXCRJTTOBDLR-UHFFFAOYSA-N
XLogP1.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide 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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 1,1-dioxothiolane-3-carboxylate
CID 55552588
4-tert-butyl-N-[1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl]benzamide
CID 51266160
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 124824463
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95288925
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
2-(1,3-benzodioxol-5-ylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 167811081
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyridin-3-ylacetamide
CID 110753928
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119817309
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61265369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 127843888) is 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is CC(NC(C)c1nc(C(C)(C)C)no1)C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is NFSXCRJTTOBDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-10(13-18-15(19-24-13)16(3,4)5)17-11(2)14(21)20(6)12-7-8-25(22,23)9-12/h10-12,17H,7-9H2,1-6H3.
What are the key properties of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 127843888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).