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

C16H18ClN7O — CID 120859477

IUPAC1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C16H17N7O.ClH/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;1H/b13-10+;
InChIKeyUNCMZFOFAYOOMF-RSGUCCNWSA-N
MW359.82 g/mol
LogP2.17
Rot. Bonds4

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

1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120859477) has the molecular formula C16H18ClN7O and a molecular weight of 359.82 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;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120859477
Molecular FormulaC16H18ClN7O
Molecular Weight359.82 g/mol
Exact Mass359.13
IUPAC Name1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C16H17N7O.ClH/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;1H/b13-10+;
InChIKeyUNCMZFOFAYOOMF-RSGUCCNWSA-N
XLogP2.17
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855002
1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862716
1-[5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868006
5-[(Z)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958048
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851178
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851179
1-[5-[(E)-2-(4-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855001
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859478
1-[5-[[5-(4-Methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860453
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861853
1-[5-[(5-Phenyltetrazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862029
1-[5-[1-(5-Phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862401

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;hydrochloride?
The IUPAC name of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120859477) is 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-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]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1nnnn1/C(=C/c1ccccc1)c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of 1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is UNCMZFOFAYOOMF-RSGUCCNWSA-N. The full InChI is InChI=1S/C16H17N7O.ClH/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;1H/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;hydrochloride?
1-[5-[(E)-1-(5-methyltetrazol-1-yl)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 359.82 g/mol, XLogP of 2.17, 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;hydrochloride is sourced from PubChem (CID 120859477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).