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

C16H16FN7O — CID 120862716

IUPAC1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H16FN7O/c1-10-20-22-23-24(10)13(9-11-3-5-12(17)6-4-11)14-19-15(21-25-14)16(18)7-2-8-16/h3-6,9H,2,7-8,18H2,1H3/b13-9+
InChIKeyFMIBUZODLLAHLV-UKTHLTGXSA-N
MW341.35 g/mol
LogP1.89
Rot. Bonds4

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

1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862716) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862716
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H16FN7O/c1-10-20-22-23-24(10)13(9-11-3-5-12(17)6-4-11)14-19-15(21-25-14)16(18)7-2-8-16/h3-6,9H,2,7-8,18H2,1H3/b13-9+
InChIKeyFMIBUZODLLAHLV-UKTHLTGXSA-N
XLogP1.89
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862716) is 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is FMIBUZODLLAHLV-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H16FN7O/c1-10-20-22-23-24(10)13(9-11-3-5-12(17)6-4-11)14-19-15(21-25-14)16(18)7-2-8-16/h3-6,9H,2,7-8,18H2,1H3/b13-9+.
What are the key properties of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 341.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).