1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C9H11N5O — CID 120860494

IUPAC1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ccn[nH]3)n2)CCC1
InChIInChI=1S/C9H11N5O/c10-9(3-1-4-9)8-12-7(15-14-8)6-2-5-11-13-6/h2,5H,1,3-4,10H2,(H,11,13)
InChIKeyZLOBRZQSHZHYQX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.80
Rot. Bonds2

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

1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120860494) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120860494
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3ccn[nH]3)n2)CCC1
InChIInChI=1S/C9H11N5O/c10-9(3-1-4-9)8-12-7(15-14-8)6-2-5-11-13-6/h2,5H,1,3-4,10H2,(H,11,13)
InChIKeyZLOBRZQSHZHYQX-UHFFFAOYSA-N
XLogP0.80
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096064
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 137031670
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 137031633
5-[5-[1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943736
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(5-pyridin-4-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864199

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120860494) is 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3ccn[nH]3)n2)CCC1.
What is the InChIKey of 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is ZLOBRZQSHZHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-9(3-1-4-9)8-12-7(15-14-8)6-2-5-11-13-6/h2,5H,1,3-4,10H2,(H,11,13).
What are the key properties of 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 205.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).