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

C13H23N3O2 — CID 100726211

IUPAC(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@H](CC)c1noc(C)n1
InChIInChI=1S/C13H23N3O2/c1-5-7-8-9(3)13(17)15-11(6-2)12-14-10(4)18-16-12/h9,11H,5-8H2,1-4H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyAKLPQVOSIBACAD-GXSJLCMTSA-N
MW253.35 g/mol
LogP2.77
Rot. Bonds7

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

(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide (PubChem CID 100726211) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
PubChem CID100726211
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
SMILESCCCC[C@H](C)C(=O)N[C@H](CC)c1noc(C)n1
InChIInChI=1S/C13H23N3O2/c1-5-7-8-9(3)13(17)15-11(6-2)12-14-10(4)18-16-12/h9,11H,5-8H2,1-4H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyAKLPQVOSIBACAD-GXSJLCMTSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388483
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 53586204
3-cyclopentyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91907160
2-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988208
5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95357026
N-[2-(5-Methyl-1,2,4-oxadiazol-3-YL)ethyl]cyclopentanecarboxamide
CID 91907163
N-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)ethyl]cyclopentanecarboxamide
CID 91907200
N-[2-(5-Methyl-1,2,4-oxadiazol-3-YL)ethyl]cyclohexanecarboxamide
CID 91917564
2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917570
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917571
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1-cyclobutanecarboxamide
CID 91917573
2-cyclopentyl-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 49722151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide?
The IUPAC name of (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide (CID 100726211) is (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide is CCCC[C@H](C)C(=O)N[C@H](CC)c1noc(C)n1.
What is the InChIKey of (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide?
The InChIKey is AKLPQVOSIBACAD-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-8-9(3)13(17)15-11(6-2)12-14-10(4)18-16-12/h9,11H,5-8H2,1-4H3,(H,15,17)/t9-,11+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide?
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide has a molecular weight of 253.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide is sourced from PubChem (CID 100726211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).