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

C21H14F4N6O3 — CID 90446309

IUPAC3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C(F)(F)F)CN1c1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H14F4N6O3/c22-13-4-2-1-3-12(13)10-31-16(14-6-8-33-29-14)9-15(28-31)19-26-7-5-18(27-19)30-11-17(21(23,24)25)34-20(30)32/h1-9,17H,10-11H2
InChIKeySTPXPQPNXCUJRA-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.07
Rot. Bonds5

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

3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 90446309) has the molecular formula C21H14F4N6O3 and a molecular weight of 474.37 g/mol. Its IUPAC name is 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID90446309
Molecular FormulaC21H14F4N6O3
Molecular Weight474.37 g/mol
Exact Mass474.11
IUPAC Name3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C(F)(F)F)CN1c1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H14F4N6O3/c22-13-4-2-1-3-12(13)10-31-16(14-6-8-33-29-14)9-15(28-31)19-26-7-5-18(27-19)30-11-17(21(23,24)25)34-20(30)32/h1-9,17H,10-11H2
InChIKeySTPXPQPNXCUJRA-UHFFFAOYSA-N
XLogP4.07
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 90446309) is 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1OC(C(F)(F)F)CN1c1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is STPXPQPNXCUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N6O3/c22-13-4-2-1-3-12(13)10-31-16(14-6-8-33-29-14)9-15(28-31)19-26-7-5-18(27-19)30-11-17(21(23,24)25)34-20(30)32/h1-9,17H,10-11H2.
What are the key properties of 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 474.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90446309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).