4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine

C23H22F2N6O3 — CID 118965719

IUPAC4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OCCN3CCOCC3)n2)cc1-c1ccon1
InChIInChI=1S/C23H22F2N6O3/c24-17-4-2-1-3-16(17)15-31-21(19-5-9-34-29-19)13-20(28-31)22-26-14-18(25)23(27-22)33-12-8-30-6-10-32-11-7-30/h1-5,9,13-14H,6-8,10-12,15H2
InChIKeyXWOZRFODXUXUNL-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.03
Rot. Bonds8

About 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine

4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine (PubChem CID 118965719) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine
PubChem CID118965719
Molecular FormulaC23H22F2N6O3
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OCCN3CCOCC3)n2)cc1-c1ccon1
InChIInChI=1S/C23H22F2N6O3/c24-17-4-2-1-3-16(17)15-31-21(19-5-9-34-29-19)13-20(28-31)22-26-14-18(25)23(27-22)33-12-8-30-6-10-32-11-7-30/h1-5,9,13-14H,6-8,10-12,15H2
InChIKeyXWOZRFODXUXUNL-UHFFFAOYSA-N
XLogP3.03
TPSA91.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine (CID 118965719) is 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine is Fc1ccccc1Cn1nc(-c2ncc(F)c(OCCN3CCOCC3)n2)cc1-c1ccon1.
What is the InChIKey of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?
The InChIKey is XWOZRFODXUXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c24-17-4-2-1-3-16(17)15-31-21(19-5-9-34-29-19)13-20(28-31)22-26-14-18(25)23(27-22)33-12-8-30-6-10-32-11-7-30/h1-5,9,13-14H,6-8,10-12,15H2.
What are the key properties of 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine?
4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine has a molecular weight of 468.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxyethyl]morpholine is sourced from PubChem (CID 118965719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).