N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C16H17N3O3 — CID 90511383

IUPACN-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCc3ccccc3)C2)no1
InChIInChI=1S/C16H17N3O3/c1-11-7-14(18-22-11)16(21)19-9-13(10-19)15(20)17-8-12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,17,20)
InChIKeyGKZPWAWVXRFYPJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.37
Rot. Bonds4

About N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511383) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511383
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCc3ccccc3)C2)no1
InChIInChI=1S/C16H17N3O3/c1-11-7-14(18-22-11)16(21)19-9-13(10-19)15(20)17-8-12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,17,20)
InChIKeyGKZPWAWVXRFYPJ-UHFFFAOYSA-N
XLogP1.37
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400
N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611
N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 71785242
N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511364
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide
CID 90511361
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511282
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511515
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511383) is N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)NCc3ccccc3)C2)no1.
What is the InChIKey of N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is GKZPWAWVXRFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-7-14(18-22-11)16(21)19-9-13(10-19)15(20)17-8-12-5-3-2-4-6-12/h2-7,13H,8-10H2,1H3,(H,17,20).
What are the key properties of N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).