1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H17N7O — CID 120859478

IUPAC1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H17N7O/c1-11-19-21-22-23(11)13(10-12-6-3-2-4-7-12)14-18-15(20-24-14)16(17)8-5-9-16/h2-4,6-7,10H,5,8-9,17H2,1H3/b13-10+
InChIKeyUNSZOGKWUCVIGK-JLHYYAGUSA-N
MW323.36 g/mol
LogP1.75
Rot. Bonds4

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

1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859478) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859478
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H17N7O/c1-11-19-21-22-23(11)13(10-12-6-3-2-4-7-12)14-18-15(20-24-14)16(17)8-5-9-16/h2-4,6-7,10H,5,8-9,17H2,1H3/b13-10+
InChIKeyUNSZOGKWUCVIGK-JLHYYAGUSA-N
XLogP1.75
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-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-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859478) is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is UNSZOGKWUCVIGK-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H17N7O/c1-11-19-21-22-23(11)13(10-12-6-3-2-4-7-12)14-18-15(20-24-14)16(17)8-5-9-16/h2-4,6-7,10H,5,8-9,17H2,1H3/b13-10+.
What are the key properties of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 323.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).