(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H24N6O3 — CID 95277625

IUPAC(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C16H24N6O3/c1-10-9-14(20-24-10)18-15(23)11(2)21-5-7-22(8-6-21)12(3)16-17-13(4)19-25-16/h9,11-12H,5-8H2,1-4H3,(H,18,20,23)/t11-,12+/m1/s1
InChIKeyWMYSVTJLWXQROU-NEPJUHHUSA-N
MW348.41 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95277625) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95277625
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1
InChIInChI=1S/C16H24N6O3/c1-10-9-14(20-24-10)18-15(23)11(2)21-5-7-22(8-6-21)12(3)16-17-13(4)19-25-16/h9,11-12H,5-8H2,1-4H3,(H,18,20,23)/t11-,12+/m1/s1
InChIKeyWMYSVTJLWXQROU-NEPJUHHUSA-N
XLogP1.38
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 134045166
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
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(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
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(2S)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95277625) is (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1noc([C@H](C)N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1.
What is the InChIKey of (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is WMYSVTJLWXQROU-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-10-9-14(20-24-10)18-15(23)11(2)21-5-7-22(8-6-21)12(3)16-17-13(4)19-25-16/h9,11-12H,5-8H2,1-4H3,(H,18,20,23)/t11-,12+/m1/s1.
What are the key properties of (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95277625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).