4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one

C22H15F3N4O2 — CID 177328810

IUPAC4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
SMILESO=c1nc(C2CC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-8-15(12-26-17)18-19(28-20(31-18)14-4-2-1-3-5-14)29-11-10-16(13-6-7-13)27-21(29)30/h1-5,8-13H,6-7H2
InChIKeyXYCMAZIIQMAJET-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.85
Rot. Bonds4

About 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one

4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one (PubChem CID 177328810) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
PubChem CID177328810
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
SMILESO=c1nc(C2CC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-8-15(12-26-17)18-19(28-20(31-18)14-4-2-1-3-5-14)29-11-10-16(13-6-7-13)27-21(29)30/h1-5,8-13H,6-7H2
InChIKeyXYCMAZIIQMAJET-UHFFFAOYSA-N
XLogP4.85
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The IUPAC name of 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one (CID 177328810) is 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one is O=c1nc(C2CC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
The InChIKey is XYCMAZIIQMAJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c23-22(24,25)17-9-8-15(12-26-17)18-19(28-20(31-18)14-4-2-1-3-5-14)29-11-10-16(13-6-7-13)27-21(29)30/h1-5,8-13H,6-7H2.
What are the key properties of 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one?
4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one has a molecular weight of 424.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one is sourced from PubChem (CID 177328810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).