1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H21N3O4 — CID 120856611

IUPAC1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1cc(-c2nc(C3(N)CCCC3)no2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O4/c1-20-11-8-10(9-12(21-2)13(11)22-3)14-18-15(19-23-14)16(17)6-4-5-7-16/h8-9H,4-7,17H2,1-3H3
InChIKeyJMUACNXBRCEPGJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.49
Rot. Bonds5

About 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120856611) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120856611
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1cc(-c2nc(C3(N)CCCC3)no2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O4/c1-20-11-8-10(9-12(21-2)13(11)22-3)14-18-15(19-23-14)16(17)6-4-5-7-16/h8-9H,4-7,17H2,1-3H3
InChIKeyJMUACNXBRCEPGJ-UHFFFAOYSA-N
XLogP2.49
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide
CID 120862834
1-[5-(3-methoxy-5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857357
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351511
1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856501
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
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-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120856611) is 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is COc1cc(-c2nc(C3(N)CCCC3)no2)cc(OC)c1OC.
What is the InChIKey of 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is JMUACNXBRCEPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-20-11-8-10(9-12(21-2)13(11)22-3)14-18-15(19-23-14)16(17)6-4-5-7-16/h8-9H,4-7,17H2,1-3H3.
What are the key properties of 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 319.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120856611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).