(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide

C14H15Cl2N3O3 — CID 97330137

IUPAC(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1
InChIInChI=1S/C14H15Cl2N3O3/c1-3-11(13-17-7(2)22-19-13)18-14(21)12(20)8-4-9(15)6-10(16)5-8/h4-6,11-12,20H,3H2,1-2H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyKJLOQSXYMFEENC-RYUDHWBXSA-N
MW344.20 g/mol
LogP2.99
Rot. Bonds5

About (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide

(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide (PubChem CID 97330137) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
PubChem CID97330137
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1
InChIInChI=1S/C14H15Cl2N3O3/c1-3-11(13-17-7(2)22-19-13)18-14(21)12(20)8-4-9(15)6-10(16)5-8/h4-6,11-12,20H,3H2,1-2H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyKJLOQSXYMFEENC-RYUDHWBXSA-N
XLogP2.99
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 71914707
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566574
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97242045
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide (CID 97330137) is (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The canonical SMILES for (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide is CC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1.
What is the InChIKey of (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The InChIKey is KJLOQSXYMFEENC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-3-11(13-17-7(2)22-19-13)18-14(21)12(20)8-4-9(15)6-10(16)5-8/h4-6,11-12,20H,3H2,1-2H3,(H,18,21)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide?
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide has a molecular weight of 344.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide is sourced from PubChem (CID 97330137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).