6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine

C27H19FN6O — CID 50908148

IUPAC6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncc(-c4nnc(-c5ccc(F)cc5)o4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C27H19FN6O/c1-17-7-9-18(10-8-17)23-24(30-22-5-3-2-4-6-22)34-16-20(15-29-27(34)31-23)26-33-32-25(35-26)19-11-13-21(28)14-12-19/h2-16,30H,1H3
InChIKeyOHSHLWJLGPUPSX-UHFFFAOYSA-N
MW462.49 g/mol
LogP6.30
Rot. Bonds5

About 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine

6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 50908148) has the molecular formula C27H19FN6O and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID50908148
Molecular FormulaC27H19FN6O
Molecular Weight462.49 g/mol
Exact Mass462.16
IUPAC Name6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncc(-c4nnc(-c5ccc(F)cc5)o4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C27H19FN6O/c1-17-7-9-18(10-8-17)23-24(30-22-5-3-2-4-6-22)34-16-20(15-29-27(34)31-23)26-33-32-25(35-26)19-11-13-21(28)14-12-19/h2-16,30H,1H3
InChIKeyOHSHLWJLGPUPSX-UHFFFAOYSA-N
XLogP6.30
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 50908148) is 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(-c2nc3ncc(-c4nnc(-c5ccc(F)cc5)o4)cn3c2Nc2ccccc2)cc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is OHSHLWJLGPUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN6O/c1-17-7-9-18(10-8-17)23-24(30-22-5-3-2-4-6-22)34-16-20(15-29-27(34)31-23)26-33-32-25(35-26)19-11-13-21(28)14-12-19/h2-16,30H,1H3.
What are the key properties of 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine?
6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 462.49 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 50908148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).