1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C15H18ClN7O — CID 120862401

IUPAC1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(c1nc(C2(N)CCC2)no1)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-10(13-17-14(20-23-13)15(16)8-5-9-15)22-19-12(18-21-22)11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,16H2,1H3;1H
InChIKeyHWQJYRFXBXWVMU-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.09
Rot. Bonds4

About 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862401) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862401
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(c1nc(C2(N)CCC2)no1)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-10(13-17-14(20-23-13)15(16)8-5-9-15)22-19-12(18-21-22)11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,16H2,1H3;1H
InChIKeyHWQJYRFXBXWVMU-UHFFFAOYSA-N
XLogP2.09
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862401) is 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CC(c1nc(C2(N)CCC2)no1)n1nnc(-c2ccccc2)n1.Cl.
What is the InChIKey of 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is HWQJYRFXBXWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O.ClH/c1-10(13-17-14(20-23-13)15(16)8-5-9-15)22-19-12(18-21-22)11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,16H2,1H3;1H.
What are the key properties of 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).