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

C15H23N3O4 — CID 90511361

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCCCOC(C)C)C2)no1
InChIInChI=1S/C15H23N3O4/c1-10(2)21-6-4-5-16-14(19)12-8-18(9-12)15(20)13-7-11(3)22-17-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyPNHPLGDOPOHZBK-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.99
Rot. Bonds7

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

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide (PubChem CID 90511361) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide
PubChem CID90511361
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCCCOC(C)C)C2)no1
InChIInChI=1S/C15H23N3O4/c1-10(2)21-6-4-5-16-14(19)12-8-18(9-12)15(20)13-7-11(3)22-17-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19)
InChIKeyPNHPLGDOPOHZBK-UHFFFAOYSA-N
XLogP0.99
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.99
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
N-(3-ethoxypropyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511364
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
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400
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
N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511610
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
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide (CID 90511361) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)NCCCOC(C)C)C2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide?
The InChIKey is PNHPLGDOPOHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(2)21-6-4-5-16-14(19)12-8-18(9-12)15(20)13-7-11(3)22-17-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,16,19).
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).