(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine

C20H21FN6O — CID 135245895

IUPAC(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine
SMILESN/C(=C(/C1CCCC1)N(N)c1ccccc1F)c1nc(-c2cccnc2)no1
InChIInChI=1S/C20H21FN6O/c21-15-9-3-4-10-16(15)27(23)18(13-6-1-2-7-13)17(22)20-25-19(26-28-20)14-8-5-11-24-12-14/h3-5,8-13H,1-2,6-7,22-23H2/b18-17-
InChIKeyPYDYWAPWAVYOFA-ZCXUNETKSA-N
MW380.43 g/mol
LogP3.47
Rot. Bonds5

About (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine

(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine (PubChem CID 135245895) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine
PubChem CID135245895
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine
SMILESN/C(=C(/C1CCCC1)N(N)c1ccccc1F)c1nc(-c2cccnc2)no1
InChIInChI=1S/C20H21FN6O/c21-15-9-3-4-10-16(15)27(23)18(13-6-1-2-7-13)17(22)20-25-19(26-28-20)14-8-5-11-24-12-14/h3-5,8-13H,1-2,6-7,22-23H2/b18-17-
InChIKeyPYDYWAPWAVYOFA-ZCXUNETKSA-N
XLogP3.47
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine?
The IUPAC name of (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine (CID 135245895) is (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine.
What is the SMILES notation for (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine?
The canonical SMILES for (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine is N/C(=C(/C1CCCC1)N(N)c1ccccc1F)c1nc(-c2cccnc2)no1.
What is the InChIKey of (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine?
The InChIKey is PYDYWAPWAVYOFA-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-9-3-4-10-16(15)27(23)18(13-6-1-2-7-13)17(22)20-25-19(26-28-20)14-8-5-11-24-12-14/h3-5,8-13H,1-2,6-7,22-23H2/b18-17-.
What are the key properties of (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine?
(Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine has a molecular weight of 380.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-amino-2-fluoroanilino)-2-cyclopentyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenamine is sourced from PubChem (CID 135245895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).