4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one

C19H23N5O2 — CID 120857058

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one
SMILESCC(C)Cn1nc(-c2nc(C3(N)CCCC3)no2)c2ccccc2c1=O
InChIInChI=1S/C19H23N5O2/c1-12(2)11-24-17(25)14-8-4-3-7-13(14)15(22-24)16-21-18(23-26-16)19(20)9-5-6-10-19/h3-4,7-8,12H,5-6,9-11,20H2,1-2H3
InChIKeyFXMQLIRIFLSGGQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.83
Rot. Bonds4

About 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one (PubChem CID 120857058) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one
PubChem CID120857058
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one
SMILESCC(C)Cn1nc(-c2nc(C3(N)CCCC3)no2)c2ccccc2c1=O
InChIInChI=1S/C19H23N5O2/c1-12(2)11-24-17(25)14-8-4-3-7-13(14)15(22-24)16-21-18(23-26-16)19(20)9-5-6-10-19/h3-4,7-8,12H,5-6,9-11,20H2,1-2H3
InChIKeyFXMQLIRIFLSGGQ-UHFFFAOYSA-N
XLogP2.83
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864543
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852375
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;hydrochloride
CID 120857240
1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852559

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one (CID 120857058) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one is CC(C)Cn1nc(-c2nc(C3(N)CCCC3)no2)c2ccccc2c1=O.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one?
The InChIKey is FXMQLIRIFLSGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)11-24-17(25)14-8-4-3-7-13(14)15(22-24)16-21-18(23-26-16)19(20)9-5-6-10-19/h3-4,7-8,12H,5-6,9-11,20H2,1-2H3.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one has a molecular weight of 353.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpropyl)phthalazin-1-one is sourced from PubChem (CID 120857058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).