4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

C21H18FN7O — CID 58541866

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NCCCn3ccnc3)n2)cc1
InChIInChI=1S/C21H18FN7O/c22-16-4-2-15(3-5-16)18-19(29-12-13-30-21(29)27-18)17-6-8-25-20(26-17)24-7-1-10-28-11-9-23-14-28/h2-6,8-9,11-14H,1,7,10H2,(H,24,25,26)
InChIKeySEUKVXRBJJHLRB-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.89
Rot. Bonds7

About 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (PubChem CID 58541866) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
PubChem CID58541866
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NCCCn3ccnc3)n2)cc1
InChIInChI=1S/C21H18FN7O/c22-16-4-2-15(3-5-16)18-19(29-12-13-30-21(29)27-18)17-6-8-25-20(26-17)24-7-1-10-28-11-9-23-14-28/h2-6,8-9,11-14H,1,7,10H2,(H,24,25,26)
InChIKeySEUKVXRBJJHLRB-UHFFFAOYSA-N
XLogP3.89
TPSA86.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (CID 58541866) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is Fc1ccc(-c2nc3occn3c2-c2ccnc(NCCCn3ccnc3)n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is SEUKVXRBJJHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c22-16-4-2-15(3-5-16)18-19(29-12-13-30-21(29)27-18)17-6-8-25-20(26-17)24-7-1-10-28-11-9-23-14-28/h2-6,8-9,11-14H,1,7,10H2,(H,24,25,26).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 403.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 58541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).