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

C24H23FN6O2 — CID 123600958

IUPAC4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine
SMILESC=C(C)c1cnc(-n2cc(-c3ccon3)c(Cc3ccccc3F)n2)nc1N1CCOCC1
InChIInChI=1S/C24H23FN6O2/c1-16(2)18-14-26-24(27-23(18)30-8-11-32-12-9-30)31-15-19(21-7-10-33-29-21)22(28-31)13-17-5-3-4-6-20(17)25/h3-7,10,14-15H,1,8-9,11-13H2,2H3
InChIKeyGWSOEIUEHJCOTR-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.92
Rot. Bonds6

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

4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine (PubChem CID 123600958) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine
PubChem CID123600958
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine
SMILESC=C(C)c1cnc(-n2cc(-c3ccon3)c(Cc3ccccc3F)n2)nc1N1CCOCC1
InChIInChI=1S/C24H23FN6O2/c1-16(2)18-14-26-24(27-23(18)30-8-11-32-12-9-30)31-15-19(21-7-10-33-29-21)22(28-31)13-17-5-3-4-6-20(17)25/h3-7,10,14-15H,1,8-9,11-13H2,2H3
InChIKeyGWSOEIUEHJCOTR-UHFFFAOYSA-N
XLogP3.92
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine (CID 123600958) is 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine is C=C(C)c1cnc(-n2cc(-c3ccon3)c(Cc3ccccc3F)n2)nc1N1CCOCC1.
What is the InChIKey of 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is GWSOEIUEHJCOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-16(2)18-14-26-24(27-23(18)30-8-11-32-12-9-30)31-15-19(21-7-10-33-29-21)22(28-31)13-17-5-3-4-6-20(17)25/h3-7,10,14-15H,1,8-9,11-13H2,2H3.
What are the key properties of 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine?
4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 446.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazol-1-yl]-5-prop-1-en-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 123600958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).