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

C17H20ClN7O — CID 120851178

IUPAC1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H19N7O.ClH/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;1H/b14-11+;
InChIKeyXTRSEBSRTQJQNT-JHGYPSGKSA-N
MW373.85 g/mol
LogP2.56
Rot. Bonds4

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

1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851178) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 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;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851178
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H19N7O.ClH/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;1H/b14-11+;
InChIKeyXTRSEBSRTQJQNT-JHGYPSGKSA-N
XLogP2.56
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.56
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;hydrochloride?
The IUPAC name of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851178) is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is XTRSEBSRTQJQNT-JHGYPSGKSA-N. The full InChI is InChI=1S/C17H19N7O.ClH/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;1H/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;hydrochloride?
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 373.85 g/mol, XLogP of 2.56, 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;hydrochloride is sourced from PubChem (CID 120851178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).