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

C26H22F2N6O3S — CID 57433674

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C26H22F2N6O3S/c27-18-3-1-17(2-4-18)23-24(34-15-16-37-26(34)32-23)22-9-12-29-25(31-22)30-20-10-13-33(14-11-20)38(35,36)21-7-5-19(28)6-8-21/h1-9,12,15-16,20H,10-11,13-14H2,(H,29,30,31)
InChIKeyJLYAXTDMYQECHZ-UHFFFAOYSA-N
MW536.56 g/mol
LogP4.59
Rot. Bonds6

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

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 57433674) has the molecular formula C26H22F2N6O3S and a molecular weight of 536.56 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
PubChem CID57433674
Molecular FormulaC26H22F2N6O3S
Molecular Weight536.56 g/mol
Exact Mass536.14
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C26H22F2N6O3S/c27-18-3-1-17(2-4-18)23-24(34-15-16-37-26(34)32-23)22-9-12-29-25(31-22)30-20-10-13-33(14-11-20)38(35,36)21-7-5-19(28)6-8-21/h1-9,12,15-16,20H,10-11,13-14H2,(H,29,30,31)
InChIKeyJLYAXTDMYQECHZ-UHFFFAOYSA-N
XLogP4.59
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 57433674) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is O=S(=O)(c1ccc(F)cc1)N1CCC(Nc2nccc(-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-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The InChIKey is JLYAXTDMYQECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O3S/c27-18-3-1-17(2-4-18)23-24(34-15-16-37-26(34)32-23)22-9-12-29-25(31-22)30-20-10-13-33(14-11-20)38(35,36)21-7-5-19(28)6-8-21/h1-9,12,15-16,20H,10-11,13-14H2,(H,29,30,31).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine has a molecular weight of 536.56 g/mol, XLogP of 4.59, 6 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-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 57433674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).