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

C14H21N3O4 — CID 90511364

IUPACN-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-6-4-5-15-13(18)11-8-17(9-11)14(19)12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyPVFJXQSWSJPVNB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.60
Rot. Bonds7

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

N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511364) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511364
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-6-4-5-15-13(18)11-8-17(9-11)14(19)12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyPVFJXQSWSJPVNB-UHFFFAOYSA-N
XLogP0.60
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.60
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-methoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 71785242
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
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
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511364) is N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is CCOCCCNC(=O)C1CN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is PVFJXQSWSJPVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-20-6-4-5-15-13(18)11-8-17(9-11)14(19)12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).