N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C16H25ClN4O2S — CID 119656857

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCCc1nc(-c2cccs2)no1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-16(2,10-17)11-20(3)14(21)8-4-7-13-18-15(19-22-13)12-6-5-9-23-12;/h5-6,9H,4,7-8,10-11,17H2,1-3H3;1H
InChIKeyLEDRIDFGZFDZCA-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.99
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119656857) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119656857
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCCc1nc(-c2cccs2)no1.Cl
InChIInChI=1S/C16H24N4O2S.ClH/c1-16(2,10-17)11-20(3)14(21)8-4-7-13-18-15(19-22-13)12-6-5-9-23-12;/h5-6,9H,4,7-8,10-11,17H2,1-3H3;1H
InChIKeyLEDRIDFGZFDZCA-UHFFFAOYSA-N
XLogP2.99
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119656857) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CCCc1nc(-c2cccs2)no1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is LEDRIDFGZFDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.ClH/c1-16(2,10-17)11-20(3)14(21)8-4-7-13-18-15(19-22-13)12-6-5-9-23-12;/h5-6,9H,4,7-8,10-11,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119656857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).