[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

C11H15N5O — CID 113311262

IUPAC[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCn1cc(-c2noc(C3(CN)CCC3)n2)cn1
InChIInChI=1S/C11H15N5O/c1-16-6-8(5-13-16)9-14-10(17-15-9)11(7-12)3-2-4-11/h5-6H,2-4,7,12H2,1H3
InChIKeySXKAEXQEBBRYSQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds3

About [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 113311262) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID113311262
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESCn1cc(-c2noc(C3(CN)CCC3)n2)cn1
InChIInChI=1S/C11H15N5O/c1-16-6-8(5-13-16)9-14-10(17-15-9)11(7-12)3-2-4-11/h5-6H,2-4,7,12H2,1H3
InChIKeySXKAEXQEBBRYSQ-UHFFFAOYSA-N
XLogP0.85
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 107501925
4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 115914049
3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 71924876
5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 71980373
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65196396
[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446160
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 113311262) is [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is Cn1cc(-c2noc(C3(CN)CCC3)n2)cn1.
What is the InChIKey of [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is SXKAEXQEBBRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-6-8(5-13-16)9-14-10(17-15-9)11(7-12)3-2-4-11/h5-6H,2-4,7,12H2,1H3.
What are the key properties of [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 113311262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).