N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid

C20H28N4O5 — CID 154910005

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid
SMILESCC(C)N1CCOC(CC(=O)NCc2nc(Cc3ccccc3)no2)C1.O=CO
InChIInChI=1S/C19H26N4O3.CH2O2/c1-14(2)23-8-9-25-16(13-23)11-18(24)20-12-19-21-17(22-26-19)10-15-6-4-3-5-7-15;2-1-3/h3-7,14,16H,8-13H2,1-2H3,(H,20,24);1H,(H,2,3)
InChIKeyWAXQJHIEGFOXLS-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.48
Rot. Bonds7

About N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid (PubChem CID 154910005) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid
PubChem CID154910005
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid
SMILESCC(C)N1CCOC(CC(=O)NCc2nc(Cc3ccccc3)no2)C1.O=CO
InChIInChI=1S/C19H26N4O3.CH2O2/c1-14(2)23-8-9-25-16(13-23)11-18(24)20-12-19-21-17(22-26-19)10-15-6-4-3-5-7-15;2-1-3/h3-7,14,16H,8-13H2,1-2H3,(H,20,24);1H,(H,2,3)
InChIKeyWAXQJHIEGFOXLS-UHFFFAOYSA-N
XLogP1.48
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide
CID 118788523
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-4-propan-2-ylmorpholin-2-yl]acetamide
CID 125171842
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
CID 97433882
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 94025800

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid (CID 154910005) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid is CC(C)N1CCOC(CC(=O)NCc2nc(Cc3ccccc3)no2)C1.O=CO.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid?
The InChIKey is WAXQJHIEGFOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.CH2O2/c1-14(2)23-8-9-25-16(13-23)11-18(24)20-12-19-21-17(22-26-19)10-15-6-4-3-5-7-15;2-1-3/h3-7,14,16H,8-13H2,1-2H3,(H,20,24);1H,(H,2,3).
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid has a molecular weight of 404.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide;formic acid is sourced from PubChem (CID 154910005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).