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

C15H20N6O — CID 120850752

IUPAC1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccnc(N4CCCC4)n3)n2)CCCC1
InChIInChI=1S/C15H20N6O/c16-15(6-1-2-7-15)13-19-12(22-20-13)11-5-8-17-14(18-11)21-9-3-4-10-21/h5,8H,1-4,6-7,9-10,16H2
InChIKeyAOKZEQFRCQBYBO-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.85
Rot. Bonds3

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

1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850752) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850752
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3ccnc(N4CCCC4)n3)n2)CCCC1
InChIInChI=1S/C15H20N6O/c16-15(6-1-2-7-15)13-19-12(22-20-13)11-5-8-17-14(18-11)21-9-3-4-10-21/h5,8H,1-4,6-7,9-10,16H2
InChIKeyAOKZEQFRCQBYBO-UHFFFAOYSA-N
XLogP1.85
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-phenoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850881
5-(2-cyclopropylpyrimidin-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167955732
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855462
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855463
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856488
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850752) is 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3ccnc(N4CCCC4)n3)n2)CCCC1.
What is the InChIKey of 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is AOKZEQFRCQBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-15(6-1-2-7-15)13-19-12(22-20-13)11-5-8-17-14(18-11)21-9-3-4-10-21/h5,8H,1-4,6-7,9-10,16H2.
What are the key properties of 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).