N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C18H31N5O3 — CID 95729488

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H31N5O3/c1-6-22(11-15-20-16(26-21-15)9-12(2)3)17(24)10-14-18(25)19-7-8-23(14)13(4)5/h12-14H,6-11H2,1-5H3,(H,19,25)/t14-/m1/s1
InChIKeyADDWPZADESMYJB-CQSZACIVSA-N
MW365.48 g/mol
LogP1.22
Rot. Bonds8

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95729488) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95729488
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H31N5O3/c1-6-22(11-15-20-16(26-21-15)9-12(2)3)17(24)10-14-18(25)19-7-8-23(14)13(4)5/h12-14H,6-11H2,1-5H3,(H,19,25)/t14-/m1/s1
InChIKeyADDWPZADESMYJB-CQSZACIVSA-N
XLogP1.22
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide with MolForge

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Related Compounds

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-3-ylacetamide
CID 56884486
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154884865
N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
CID 50950533
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 135118006
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95724432
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 95718517
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propan-2-ylacetamide
CID 56895504
N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95723989
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95707165
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-ethyl-5-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238767
(3S)-3-amino-4-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-4-oxobutanoic acid
CID 46995340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95729488) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C(=O)NCCN1C(C)C.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is ADDWPZADESMYJB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-6-22(11-15-20-16(26-21-15)9-12(2)3)17(24)10-14-18(25)19-7-8-23(14)13(4)5/h12-14H,6-11H2,1-5H3,(H,19,25)/t14-/m1/s1.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95729488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).