3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine

C18H18FN5O — CID 120854872

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine
SMILESNC1(c2noc(-c3cccnc3Nc3ccccc3F)n2)CCCC1
InChIInChI=1S/C18H18FN5O/c19-13-7-1-2-8-14(13)22-15-12(6-5-11-21-15)16-23-17(24-25-16)18(20)9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,20H2,(H,21,22)
InChIKeyYAQZUVMNLUGKGM-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.74
Rot. Bonds4

About 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine (PubChem CID 120854872) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine
PubChem CID120854872
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine
SMILESNC1(c2noc(-c3cccnc3Nc3ccccc3F)n2)CCCC1
InChIInChI=1S/C18H18FN5O/c19-13-7-1-2-8-14(13)22-15-12(6-5-11-21-15)16-23-17(24-25-16)18(20)9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,20H2,(H,21,22)
InChIKeyYAQZUVMNLUGKGM-UHFFFAOYSA-N
XLogP3.74
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
2-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120851079
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 120957524
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352515
1-[5-[2-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851944
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine (CID 120854872) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine is NC1(c2noc(-c3cccnc3Nc3ccccc3F)n2)CCCC1.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine?
The InChIKey is YAQZUVMNLUGKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-7-1-2-8-14(13)22-15-12(6-5-11-21-15)16-23-17(24-25-16)18(20)9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,20H2,(H,21,22).
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 120854872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).