1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C14H17N3O3 — CID 120861722

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-18-10-5-4-9(8-11(10)19-2)12-16-13(17-20-12)14(15)6-3-7-14/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyNVUUWMHRCOOBLQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.09
Rot. Bonds4

About 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861722) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861722
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-18-10-5-4-9(8-11(10)19-2)12-16-13(17-20-12)14(15)6-3-7-14/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyNVUUWMHRCOOBLQ-UHFFFAOYSA-N
XLogP2.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861722) is 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is COc1ccc(-c2nc(C3(N)CCC3)no2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is NVUUWMHRCOOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-10-5-4-9(8-11(10)19-2)12-16-13(17-20-12)14(15)6-3-7-14/h4-5,8H,3,6-7,15H2,1-2H3.
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).