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

C21H19FN6O2 — CID 90445973

IUPAC4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine
SMILESFc1ccccc1Cn1nc(-c2nccc(N3CCOCC3)n2)cc1-c1ccon1
InChIInChI=1S/C21H19FN6O2/c22-16-4-2-1-3-15(16)14-28-19(17-6-10-30-26-17)13-18(25-28)21-23-7-5-20(24-21)27-8-11-29-12-9-27/h1-7,10,13H,8-9,11-12,14H2
InChIKeyOHXFYIODQWWHGT-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.02
Rot. Bonds5

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

4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 90445973) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID90445973
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine
SMILESFc1ccccc1Cn1nc(-c2nccc(N3CCOCC3)n2)cc1-c1ccon1
InChIInChI=1S/C21H19FN6O2/c22-16-4-2-1-3-15(16)14-28-19(17-6-10-30-26-17)13-18(25-28)21-23-7-5-20(24-21)27-8-11-29-12-9-27/h1-7,10,13H,8-9,11-12,14H2
InChIKeyOHXFYIODQWWHGT-UHFFFAOYSA-N
XLogP3.02
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine (CID 90445973) is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine is Fc1ccccc1Cn1nc(-c2nccc(N3CCOCC3)n2)cc1-c1ccon1.
What is the InChIKey of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is OHXFYIODQWWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c22-16-4-2-1-3-15(16)14-28-19(17-6-10-30-26-17)13-18(25-28)21-23-7-5-20(24-21)27-8-11-29-12-9-27/h1-7,10,13H,8-9,11-12,14H2.
What are the key properties of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine?
4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 406.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90445973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).