2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide

C15H17ClN4O4 — CID 120862834

IUPAC2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(C3(N)CCC3)no2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H17ClN4O4/c1-22-10-6-8(5-9(16)12(10)23-7-11(17)21)13-19-14(20-24-13)15(18)3-2-4-15/h5-6H,2-4,7,18H2,1H3,(H2,17,21)
InChIKeyZAGRQMNJHMBCIE-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide

2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide (PubChem CID 120862834) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide
PubChem CID120862834
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(C3(N)CCC3)no2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H17ClN4O4/c1-22-10-6-8(5-9(16)12(10)23-7-11(17)21)13-19-14(20-24-13)15(18)3-2-4-15/h5-6H,2-4,7,18H2,1H3,(H2,17,21)
InChIKeyZAGRQMNJHMBCIE-UHFFFAOYSA-N
XLogP1.60
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide with MolForge

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Related Compounds

1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856611
2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
CID 167975391
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856501
2-[2-chloro-6-methoxy-4-[[(1-methylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 119113223
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029
1-[5-(3-methoxy-5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857357
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide (CID 120862834) is 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide is COc1cc(-c2nc(C3(N)CCC3)no2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide?
The InChIKey is ZAGRQMNJHMBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-22-10-6-8(5-9(16)12(10)23-7-11(17)21)13-19-14(20-24-13)15(18)3-2-4-15/h5-6H,2-4,7,18H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide?
2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide has a molecular weight of 352.78 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 120862834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).