N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C15H21N3O3S — CID 111596432

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H21N3O3S/c1-4-18(10-15(2,3)20)13(19)6-5-12-16-14(17-21-12)11-7-8-22-9-11/h7-9,20H,4-6,10H2,1-3H3
InChIKeyJRNSNBUYLPOXCL-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.35
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 111596432) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID111596432
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H21N3O3S/c1-4-18(10-15(2,3)20)13(19)6-5-12-16-14(17-21-12)11-7-8-22-9-11/h7-9,20H,4-6,10H2,1-3H3
InChIKeyJRNSNBUYLPOXCL-UHFFFAOYSA-N
XLogP2.35
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630
4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511534
N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090611
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117129
N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
CID 8967841
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118904
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55782988
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 111596432) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC(C)(C)O)C(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JRNSNBUYLPOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-18(10-15(2,3)20)13(19)6-5-12-16-14(17-21-12)11-7-8-22-9-11/h7-9,20H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 111596432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).