(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine

C20H20F2N6O — CID 89209664

IUPAC(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine
SMILESCCc1nnc(C(C)C)n1/N=C(\C)c1c(-c2ccc(F)cc2F)nc2occn12
InChIInChI=1S/C20H20F2N6O/c1-5-16-24-25-19(11(2)3)28(16)26-12(4)18-17(23-20-27(18)8-9-29-20)14-7-6-13(21)10-15(14)22/h6-11H,5H2,1-4H3/b26-12+
InChIKeyGAECYGAYSZUDOE-RPPGKUMJSA-N
MW398.42 g/mol
LogP4.42
Rot. Bonds5

About (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine

(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine (PubChem CID 89209664) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine
PubChem CID89209664
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine
SMILESCCc1nnc(C(C)C)n1/N=C(\C)c1c(-c2ccc(F)cc2F)nc2occn12
InChIInChI=1S/C20H20F2N6O/c1-5-16-24-25-19(11(2)3)28(16)26-12(4)18-17(23-20-27(18)8-9-29-20)14-7-6-13(21)10-15(14)22/h6-11H,5H2,1-4H3/b26-12+
InChIKeyGAECYGAYSZUDOE-RPPGKUMJSA-N
XLogP4.42
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine (CID 89209664) is (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine is CCc1nnc(C(C)C)n1/N=C(\C)c1c(-c2ccc(F)cc2F)nc2occn12.
What is the InChIKey of (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine?
The InChIKey is GAECYGAYSZUDOE-RPPGKUMJSA-N. The full InChI is InChI=1S/C20H20F2N6O/c1-5-16-24-25-19(11(2)3)28(16)26-12(4)18-17(23-20-27(18)8-9-29-20)14-7-6-13(21)10-15(14)22/h6-11H,5H2,1-4H3/b26-12+.
What are the key properties of (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine?
(E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine has a molecular weight of 398.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 89209664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).