5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine

C23H15F2N5O — CID 59457796

IUPAC5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccc(N/N=C/c3ccccc3F)nc2)cc1
InChIInChI=1S/C23H15F2N5O/c24-18-8-5-15(6-9-18)21-22(30-11-12-31-23(30)28-21)17-7-10-20(26-13-17)29-27-14-16-3-1-2-4-19(16)25/h1-14H,(H,26,29)/b27-14+
InChIKeyPBWOIVHZWSNNJJ-MZJWZYIUSA-N
MW415.40 g/mol
LogP5.38
Rot. Bonds5

About 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine

5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine (PubChem CID 59457796) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
PubChem CID59457796
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccc(N/N=C/c3ccccc3F)nc2)cc1
InChIInChI=1S/C23H15F2N5O/c24-18-8-5-15(6-9-18)21-22(30-11-12-31-23(30)28-21)17-7-10-20(26-13-17)29-27-14-16-3-1-2-4-19(16)25/h1-14H,(H,26,29)/b27-14+
InChIKeyPBWOIVHZWSNNJJ-MZJWZYIUSA-N
XLogP5.38
TPSA67.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine (CID 59457796) is 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine is Fc1ccc(-c2nc3occn3c2-c2ccc(N/N=C/c3ccccc3F)nc2)cc1.
What is the InChIKey of 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is PBWOIVHZWSNNJJ-MZJWZYIUSA-N. The full InChI is InChI=1S/C23H15F2N5O/c24-18-8-5-15(6-9-18)21-22(30-11-12-31-23(30)28-21)17-7-10-20(26-13-17)29-27-14-16-3-1-2-4-19(16)25/h1-14H,(H,26,29)/b27-14+.
What are the key properties of 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 415.40 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 59457796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).