1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C15H18ClN7O — CID 120860453

IUPAC1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(-c2nnn(Cc3nc(C4(N)CCC4)no3)n2)cc1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-10-3-5-11(6-4-10)13-18-21-22(19-13)9-12-17-14(20-23-12)15(16)7-2-8-15;/h3-6H,2,7-9,16H2,1H3;1H
InChIKeyZTRCXXXEPAPFJY-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.84
Rot. Bonds4

About 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120860453) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120860453
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(-c2nnn(Cc3nc(C4(N)CCC4)no3)n2)cc1.Cl
InChIInChI=1S/C15H17N7O.ClH/c1-10-3-5-11(6-4-10)13-18-21-22(19-13)9-12-17-14(20-23-12)15(16)7-2-8-15;/h3-6H,2,7-9,16H2,1H3;1H
InChIKeyZTRCXXXEPAPFJY-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120860453) is 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1ccc(-c2nnn(Cc3nc(C4(N)CCC4)no3)n2)cc1.Cl.
What is the InChIKey of 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is ZTRCXXXEPAPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O.ClH/c1-10-3-5-11(6-4-10)13-18-21-22(19-13)9-12-17-14(20-23-12)15(16)7-2-8-15;/h3-6H,2,7-9,16H2,1H3;1H.
What are the key properties of 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120860453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).