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

C15H20Cl2N4O2 — CID 120507694

IUPACN-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C15H19ClN4O2.ClH/c1-10(9-17)18-13(21)3-2-4-14-19-15(20-22-14)11-5-7-12(16)8-6-11;/h5-8,10H,2-4,9,17H2,1H3,(H,18,21);1H/t10-;/m0./s1
InChIKeyNOYWLDZZJIZQHD-PPHPATTJSA-N
MW359.26 g/mol
LogP2.60
Rot. Bonds7

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

N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (PubChem CID 120507694) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
PubChem CID120507694
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C15H19ClN4O2.ClH/c1-10(9-17)18-13(21)3-2-4-14-19-15(20-22-14)11-5-7-12(16)8-6-11;/h5-8,10H,2-4,9,17H2,1H3,(H,18,21);1H/t10-;/m0./s1
InChIKeyNOYWLDZZJIZQHD-PPHPATTJSA-N
XLogP2.60
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-4-methylpentanoic acid
CID 119188396
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-(1-aminohexan-2-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119665361
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
(2S)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-ethylpropanamide
CID 9470716

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride (CID 120507694) is N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is C[C@@H](CN)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
The InChIKey is NOYWLDZZJIZQHD-PPHPATTJSA-N. The full InChI is InChI=1S/C15H19ClN4O2.ClH/c1-10(9-17)18-13(21)3-2-4-14-19-15(20-22-14)11-5-7-12(16)8-6-11;/h5-8,10H,2-4,9,17H2,1H3,(H,18,21);1H/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.60, 7 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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 120507694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).