1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C12H14N4O — CID 81161112

IUPAC1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cccnc1-c1noc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N4O/c1-8-4-2-7-14-9(8)10-15-11(17-16-10)12(13)5-3-6-12/h2,4,7H,3,5-6,13H2,1H3
InChIKeyRQHKZGYBPAFFCD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds2

About 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 81161112) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID81161112
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cccnc1-c1noc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N4O/c1-8-4-2-7-14-9(8)10-15-11(17-16-10)12(13)5-3-6-12/h2,4,7H,3,5-6,13H2,1H3
InChIKeyRQHKZGYBPAFFCD-UHFFFAOYSA-N
XLogP1.78
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845555
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672051
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61292346
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 81165365
1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162188
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716804
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 62715874
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 81161112) is 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is Cc1cccnc1-c1noc(C2(N)CCC2)n1.
What is the InChIKey of 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is RQHKZGYBPAFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-2-7-14-9(8)10-15-11(17-16-10)12(13)5-3-6-12/h2,4,7H,3,5-6,13H2,1H3.
What are the key properties of 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 230.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 81161112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).