N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C13H25ClN4O2 — CID 120507692

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCc1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-9(8-14)15-10(18)6-5-7-11-16-12(17-19-11)13(2,3)4;/h9H,5-8,14H2,1-4H3,(H,15,18);1H/t9-;/m0./s1
InChIKeySOPFQMQCUINXCX-FVGYRXGTSA-N
MW304.82 g/mol
LogP1.58
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 120507692) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID120507692
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCc1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-9(8-14)15-10(18)6-5-7-11-16-12(17-19-11)13(2,3)4;/h9H,5-8,14H2,1-4H3,(H,15,18);1H/t9-;/m0./s1
InChIKeySOPFQMQCUINXCX-FVGYRXGTSA-N
XLogP1.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 38486973
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide
CID 55669247
ethyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1,3-thiazole-4-carboxylate
CID 55667243
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]butanamide
CID 97262392
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 120507692) is N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is C[C@@H](CN)NC(=O)CCCc1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is SOPFQMQCUINXCX-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-9(8-14)15-10(18)6-5-7-11-16-12(17-19-11)13(2,3)4;/h9H,5-8,14H2,1-4H3,(H,15,18);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 120507692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).