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

C22H15F2N5O — CID 44577212

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESFc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1
InChIInChI=1S/C22H15F2N5O/c23-16-5-1-14(2-6-16)13-26-21-25-10-9-18(27-21)20-19(15-3-7-17(24)8-4-15)28-22-29(20)11-12-30-22/h1-12H,13H2,(H,25,26,27)
InChIKeyBLMUVWZJASLYAE-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.94
Rot. Bonds5

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

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (PubChem CID 44577212) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
PubChem CID44577212
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESFc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1
InChIInChI=1S/C22H15F2N5O/c23-16-5-1-14(2-6-16)13-26-21-25-10-9-18(27-21)20-19(15-3-7-17(24)8-4-15)28-22-29(20)11-12-30-22/h1-12H,13H2,(H,25,26,27)
InChIKeyBLMUVWZJASLYAE-UHFFFAOYSA-N
XLogP4.94
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (CID 44577212) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine is Fc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is BLMUVWZJASLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c23-16-5-1-14(2-6-16)13-26-21-25-10-9-18(27-21)20-19(15-3-7-17(24)8-4-15)28-22-29(20)11-12-30-22/h1-12H,13H2,(H,25,26,27).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 403.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(4-fluorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 44577212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).