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

C15H13Cl2N3O3 — CID 90511531

IUPACN-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)no1
InChIInChI=1S/C15H13Cl2N3O3/c1-8-2-13(19-23-8)15(22)20-6-9(7-20)14(21)18-12-4-10(16)3-11(17)5-12/h2-5,9H,6-7H2,1H3,(H,18,21)
InChIKeyLPABBOAQXWZGND-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.00
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511531) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511531
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC NameN-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)no1
InChIInChI=1S/C15H13Cl2N3O3/c1-8-2-13(19-23-8)15(22)20-6-9(7-20)14(21)18-12-4-10(16)3-11(17)5-12/h2-5,9H,6-7H2,1H3,(H,18,21)
InChIKeyLPABBOAQXWZGND-UHFFFAOYSA-N
XLogP3.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
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
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511491
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-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511577
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
CID 90511291
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511515

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511531) is N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)no1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is LPABBOAQXWZGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-8-2-13(19-23-8)15(22)20-6-9(7-20)14(21)18-12-4-10(16)3-11(17)5-12/h2-5,9H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 354.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).