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

C17H18FN7O — CID 120855002

IUPAC1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H18FN7O/c1-11-21-23-24-25(11)14(10-12-4-6-13(18)7-5-12)15-20-16(22-26-15)17(19)8-2-3-9-17/h4-7,10H,2-3,8-9,19H2,1H3/b14-10+
InChIKeyIGXAVARCGIOOSD-GXDHUFHOSA-N
MW355.38 g/mol
LogP2.28
Rot. Bonds4

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

1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120855002) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120855002
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H18FN7O/c1-11-21-23-24-25(11)14(10-12-4-6-13(18)7-5-12)15-20-16(22-26-15)17(19)8-2-3-9-17/h4-7,10H,2-3,8-9,19H2,1H3/b14-10+
InChIKeyIGXAVARCGIOOSD-GXDHUFHOSA-N
XLogP2.28
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.28
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]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120855002) is 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-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]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1nnnn1/C(=C/c1ccc(F)cc1)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is IGXAVARCGIOOSD-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-11-21-23-24-25(11)14(10-12-4-6-13(18)7-5-12)15-20-16(22-26-15)17(19)8-2-3-9-17/h4-7,10H,2-3,8-9,19H2,1H3/b14-10+.
What are the key properties of 1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 355.38 g/mol, XLogP of 2.28, 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]cyclopentan-1-amine is sourced from PubChem (CID 120855002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).