1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C13H18N4O — CID 120857026

IUPAC1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCCC3)no2)n1C
InChIInChI=1S/C13H18N4O/c1-9-5-6-10(17(9)2)11-15-12(16-18-11)13(14)7-3-4-8-13/h5-6H,3-4,7-8,14H2,1-2H3
InChIKeyNHIUPLJIXFWDHF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds2

About 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857026) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120857026
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCCC3)no2)n1C
InChIInChI=1S/C13H18N4O/c1-9-5-6-10(17(9)2)11-15-12(16-18-11)13(14)7-3-4-8-13/h5-6H,3-4,7-8,14H2,1-2H3
InChIKeyNHIUPLJIXFWDHF-UHFFFAOYSA-N
XLogP2.11
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855013
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853558
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carboxamide
CID 120853778
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857026) is 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1ccc(-c2nc(C3(N)CCCC3)no2)n1C.
What is the InChIKey of 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is NHIUPLJIXFWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-6-10(17(9)2)11-15-12(16-18-11)13(14)7-3-4-8-13/h5-6H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).