3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole

C19H12F5N5O2 — CID 118965712

IUPAC3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OCC(F)(F)F)n2)cc1-c1ccon1
InChIInChI=1S/C19H12F5N5O2/c20-12-4-2-1-3-11(12)9-29-16(14-5-6-31-28-14)7-15(27-29)17-25-8-13(21)18(26-17)30-10-19(22,23)24/h1-8H,9-10H2
InChIKeyHEZZFBXTNWQJRV-UHFFFAOYSA-N
MW437.33 g/mol
LogP4.26
Rot. Bonds6

About 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole

3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole (PubChem CID 118965712) has the molecular formula C19H12F5N5O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
PubChem CID118965712
Molecular FormulaC19H12F5N5O2
Molecular Weight437.33 g/mol
Exact Mass437.09
IUPAC Name3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OCC(F)(F)F)n2)cc1-c1ccon1
InChIInChI=1S/C19H12F5N5O2/c20-12-4-2-1-3-11(12)9-29-16(14-5-6-31-28-14)7-15(27-29)17-25-8-13(21)18(26-17)30-10-19(22,23)24/h1-8H,9-10H2
InChIKeyHEZZFBXTNWQJRV-UHFFFAOYSA-N
XLogP4.26
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 118965713
3-[1-[(2-fluorophenyl)methyl]-3-[4-nitroso-5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 129169524
ethyl 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxymethyl]cyclopropane-1-carboxylate
CID 118965743
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
3-[1-benzyl-3-(5-fluoro-4-methoxypyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 142622713
3-[3-[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 123325967
3,3,3-trifluoro-N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propane-1-sulfonamide
CID 90446497
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 118697556
N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]cyclopropanesulfonamide
CID 86267524
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]acetic acid
CID 90446123
butane;2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]ethanol
CID 145046999
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-N-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]pyrimidine-4,5-diamine
CID 145046913

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole (CID 118965712) is 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(F)c(OCC(F)(F)F)n2)cc1-c1ccon1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?
The InChIKey is HEZZFBXTNWQJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5O2/c20-12-4-2-1-3-11(12)9-29-16(14-5-6-31-28-14)7-15(27-29)17-25-8-13(21)18(26-17)30-10-19(22,23)24/h1-8H,9-10H2.
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole?
3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole has a molecular weight of 437.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 118965712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).