3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide

C13H13Cl2N3O2 — CID 95786298

IUPAC3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-11(12-16-7(2)20-18-12)17-13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,3H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeySLTZOGSCAWQINQ-NSHDSACASA-N
MW314.17 g/mol
LogP3.57
Rot. Bonds4

About 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide

3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide (PubChem CID 95786298) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
PubChem CID95786298
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-11(12-16-7(2)20-18-12)17-13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,3H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeySLTZOGSCAWQINQ-NSHDSACASA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 97330137
3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 71914707
N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 95786288
N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 95786459
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566574
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566439
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide (CID 95786298) is 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide is CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1noc(C)n1.
What is the InChIKey of 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The InChIKey is SLTZOGSCAWQINQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-3-11(12-16-7(2)20-18-12)17-13(19)8-4-9(14)6-10(15)5-8/h4-6,11H,3H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide has a molecular weight of 314.17 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide is sourced from PubChem (CID 95786298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).