N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide

C17H22N4O3 — CID 56903197

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H22N4O3/c22-16(11-14-12-23-9-8-18-14)19-7-6-17-20-15(21-24-17)10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,22)
InChIKeyVHRIZLAHXFAFNT-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.70
Rot. Bonds7

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide (PubChem CID 56903197) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide
PubChem CID56903197
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H22N4O3/c22-16(11-14-12-23-9-8-18-14)19-7-6-17-20-15(21-24-17)10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,22)
InChIKeyVHRIZLAHXFAFNT-UHFFFAOYSA-N
XLogP0.70
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 665685
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 3239910
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 3242579
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9209220
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
US10195201, Example 12
CID 138403698
US11433053, Example 105
CID 155265740

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide (CID 56903197) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is VHRIZLAHXFAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-16(11-14-12-23-9-8-18-14)19-7-6-17-20-15(21-24-17)10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,22).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56903197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).