(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride

C15H20ClN3O2S — CID 119337943

IUPAC(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)Nc1cccc(-c2nc(C)co2)c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-9-20-15(17-10)11-4-3-5-12(8-11)18-14(19)13(16)6-7-21-2;/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyLXXOAOJIHWVYLZ-ZOWNYOTGSA-N
MW341.86 g/mol
LogP3.09
Rot. Bonds6

About (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119337943) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119337943
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)Nc1cccc(-c2nc(C)co2)c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-9-20-15(17-10)11-4-3-5-12(8-11)18-14(19)13(16)6-7-21-2;/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyLXXOAOJIHWVYLZ-ZOWNYOTGSA-N
XLogP3.09
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119276819
(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
CID 104906786
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
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(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate;hydrochloride
CID 119266102
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfinylphenyl)butanamide
CID 119300627
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 61178728
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119337943) is (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)Nc1cccc(-c2nc(C)co2)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is LXXOAOJIHWVYLZ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-9-20-15(17-10)11-4-3-5-12(8-11)18-14(19)13(16)6-7-21-2;/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,18,19);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119337943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).