1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide

C19H23N3O3 — CID 90511400

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NC(C)CCc3ccccc3)C2)no1
InChIInChI=1S/C19H23N3O3/c1-13(8-9-15-6-4-3-5-7-15)20-18(23)16-11-22(12-16)19(24)17-10-14(2)25-21-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyJAXXMZVJDFCIEY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.19
Rot. Bonds6

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide (PubChem CID 90511400) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
PubChem CID90511400
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NC(C)CCc3ccccc3)C2)no1
InChIInChI=1S/C19H23N3O3/c1-13(8-9-15-6-4-3-5-7-15)20-18(23)16-11-22(12-16)19(24)17-10-14(2)25-21-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyJAXXMZVJDFCIEY-UHFFFAOYSA-N
XLogP2.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
1-(1,3-benzodioxole-5-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90512780
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
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-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(3-propan-2-yloxypropyl)azetidine-3-carboxamide
CID 90511361
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 71785278
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide (CID 90511400) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)NC(C)CCc3ccccc3)C2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The InChIKey is JAXXMZVJDFCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(8-9-15-6-4-3-5-7-15)20-18(23)16-11-22(12-16)19(24)17-10-14(2)25-21-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90511400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).