(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride

C16H22Cl2N4O2 — CID 119788016

IUPAC(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-10(2)8-13(18)16(22)19-7-6-14-20-15(21-23-14)11-4-3-5-12(17)9-11;/h3-5,9-10,13H,6-8,18H2,1-2H3,(H,19,22);1H/t13-;/m0./s1
InChIKeyVVUDTTHWNGHHAT-ZOWNYOTGSA-N
MW373.28 g/mol
LogP2.84
Rot. Bonds7

About (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119788016) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
PubChem CID119788016
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-10(2)8-13(18)16(22)19-7-6-14-20-15(21-23-14)11-4-3-5-12(17)9-11;/h3-5,9-10,13H,6-8,18H2,1-2H3,(H,19,22);1H/t13-;/m0./s1
InChIKeyVVUDTTHWNGHHAT-ZOWNYOTGSA-N
XLogP2.84
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119326205
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326179
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119326198
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323762
3-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl-methylamino]propanoic acid
CID 122002325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride (CID 119788016) is (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is VVUDTTHWNGHHAT-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H21ClN4O2.ClH/c1-10(2)8-13(18)16(22)19-7-6-14-20-15(21-23-14)11-4-3-5-12(17)9-11;/h3-5,9-10,13H,6-8,18H2,1-2H3,(H,19,22);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119788016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).