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

C24H17FN6O — CID 58541869

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NCC3=Nc4ccccc4C3)n2)cc1
InChIInChI=1S/C24H17FN6O/c25-17-7-5-15(6-8-17)21-22(31-11-12-32-24(31)30-21)20-9-10-26-23(29-20)27-14-18-13-16-3-1-2-4-19(16)28-18/h1-12H,13-14H2,(H,26,27,29)
InChIKeyQDAFIIKGSJAUEK-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.93
Rot. Bonds5

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

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine (PubChem CID 58541869) has the molecular formula C24H17FN6O and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine
PubChem CID58541869
Molecular FormulaC24H17FN6O
Molecular Weight424.44 g/mol
Exact Mass424.14
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NCC3=Nc4ccccc4C3)n2)cc1
InChIInChI=1S/C24H17FN6O/c25-17-7-5-15(6-8-17)21-22(31-11-12-32-24(31)30-21)20-9-10-26-23(29-20)27-14-18-13-16-3-1-2-4-19(16)28-18/h1-12H,13-14H2,(H,26,27,29)
InChIKeyQDAFIIKGSJAUEK-UHFFFAOYSA-N
XLogP4.93
TPSA80.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3H-indol-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine (CID 58541869) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine is Fc1ccc(-c2nc3occn3c2-c2ccnc(NCC3=Nc4ccccc4C3)n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is QDAFIIKGSJAUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O/c25-17-7-5-15(6-8-17)21-22(31-11-12-32-24(31)30-21)20-9-10-26-23(29-20)27-14-18-13-16-3-1-2-4-19(16)28-18/h1-12H,13-14H2,(H,26,27,29).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(3H-indol-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 424.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(3H-indol-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 58541869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).