N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

C17H21N3O4 — CID 83285433

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(-c2noc(CCNC(=O)C3CCC3)n2)cc1OC
InChIInChI=1S/C17H21N3O4/c1-22-13-7-6-12(10-14(13)23-2)16-19-15(24-20-16)8-9-18-17(21)11-4-3-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyFAEAVDGPUXCOKS-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.21
Rot. Bonds7

About N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (PubChem CID 83285433) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
PubChem CID83285433
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(-c2noc(CCNC(=O)C3CCC3)n2)cc1OC
InChIInChI=1S/C17H21N3O4/c1-22-13-7-6-12(10-14(13)23-2)16-19-15(24-20-16)8-9-18-17(21)11-4-3-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyFAEAVDGPUXCOKS-UHFFFAOYSA-N
XLogP2.21
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-[3-(azepan-1-yl)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922951
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92901481
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20922933
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26772854
N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanecarboxamide
CID 42797708
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 38150715
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 20922868
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 43931320
N-[3-(diethylamino)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922847

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (CID 83285433) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is COc1ccc(-c2noc(CCNC(=O)C3CCC3)n2)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is FAEAVDGPUXCOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-13-7-6-12(10-14(13)23-2)16-19-15(24-20-16)8-9-18-17(21)11-4-3-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 83285433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).