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

C13H19N3O4 — CID 71785242

IUPACN-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C13H19N3O4/c1-9-6-11(15-20-9)13(18)16-7-10(8-16)12(17)14-4-3-5-19-2/h6,10H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyNCHZCUAUTOHVKY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.21
Rot. Bonds6

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

N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 71785242) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID71785242
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C13H19N3O4/c1-9-6-11(15-20-9)13(18)16-7-10(8-16)12(17)14-4-3-5-19-2/h6,10H,3-5,7-8H2,1-2H3,(H,14,17)
InChIKeyNCHZCUAUTOHVKY-UHFFFAOYSA-N
XLogP0.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511602
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 71785278
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511610
N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 71785242) is N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is COCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is NCHZCUAUTOHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-6-11(15-20-9)13(18)16-7-10(8-16)12(17)14-4-3-5-19-2/h6,10H,3-5,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).