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

C17H19N7O — CID 120851179

IUPAC1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H19N7O/c1-12-20-22-23-24(12)14(11-13-7-3-2-4-8-13)15-19-16(21-25-15)17(18)9-5-6-10-17/h2-4,7-8,11H,5-6,9-10,18H2,1H3/b14-11+
InChIKeyVKRDLMKGBYJVGY-SDNWHVSQSA-N
MW337.39 g/mol
LogP2.14
Rot. Bonds4

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

1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851179) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851179
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H19N7O/c1-12-20-22-23-24(12)14(11-13-7-3-2-4-8-13)15-19-16(21-25-15)17(18)9-5-6-10-17/h2-4,7-8,11H,5-6,9-10,18H2,1H3/b14-11+
InChIKeyVKRDLMKGBYJVGY-SDNWHVSQSA-N
XLogP2.14
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851179) is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is VKRDLMKGBYJVGY-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-20-22-23-24(12)14(11-13-7-3-2-4-8-13)15-19-16(21-25-15)17(18)9-5-6-10-17/h2-4,7-8,11H,5-6,9-10,18H2,1H3/b14-11+.
What are the key properties of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 337.39 g/mol, XLogP of 2.14, 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]cyclopentan-1-amine is sourced from PubChem (CID 120851179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).