1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C20H26N6O — CID 120859942

IUPAC1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1cccc(C(C)C)c1
InChIInChI=1S/C20H26N6O/c1-4-7-16-17(18-22-19(24-27-18)20(21)10-6-11-20)23-25-26(16)15-9-5-8-14(12-15)13(2)3/h5,8-9,12-13H,4,6-7,10-11,21H2,1-3H3
InChIKeyLMXZJCOHBMUKCI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.73
Rot. Bonds6

About 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859942) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859942
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1cccc(C(C)C)c1
InChIInChI=1S/C20H26N6O/c1-4-7-16-17(18-22-19(24-27-18)20(21)10-6-11-20)23-25-26(16)15-9-5-8-14(12-15)13(2)3/h5,8-9,12-13H,4,6-7,10-11,21H2,1-3H3
InChIKeyLMXZJCOHBMUKCI-UHFFFAOYSA-N
XLogP3.73
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850893
1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858902
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858819
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(5-ethyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859912
1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857271
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
1-[5-(3-butan-2-yl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861529
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859942) is 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCCc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1cccc(C(C)C)c1.
What is the InChIKey of 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is LMXZJCOHBMUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-4-7-16-17(18-22-19(24-27-18)20(21)10-6-11-20)23-25-26(16)15-9-5-8-14(12-15)13(2)3/h5,8-9,12-13H,4,6-7,10-11,21H2,1-3H3.
What are the key properties of 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 366.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).