4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine

C20H18F2N6O — CID 57433748

IUPAC4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)c(F)c1
InChIInChI=1S/C20H18F2N6O/c21-12-1-2-14(15(22)11-12)17-18(28-9-10-29-20(28)27-17)16-5-8-24-19(26-16)25-13-3-6-23-7-4-13/h1-2,5,8-11,13,23H,3-4,6-7H2,(H,24,25,26)
InChIKeyAYIBNVLQYYYXJL-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.49
Rot. Bonds4

About 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine

4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 57433748) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID57433748
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)c(F)c1
InChIInChI=1S/C20H18F2N6O/c21-12-1-2-14(15(22)11-12)17-18(28-9-10-29-20(28)27-17)16-5-8-24-19(26-16)25-13-3-6-23-7-4-13/h1-2,5,8-11,13,23H,3-4,6-7H2,(H,24,25,26)
InChIKeyAYIBNVLQYYYXJL-UHFFFAOYSA-N
XLogP3.49
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine (CID 57433748) is 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine is Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)c(F)c1.
What is the InChIKey of 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is AYIBNVLQYYYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-12-1-2-14(15(22)11-12)17-18(28-9-10-29-20(28)27-17)16-5-8-24-19(26-16)25-13-3-6-23-7-4-13/h1-2,5,8-11,13,23H,3-4,6-7H2,(H,24,25,26).
What are the key properties of 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine?
4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 396.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 57433748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).