(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole

C20H17F3N4O3 — CID 123388479

IUPAC(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
SMILESCn1cc(-c2ccc(OC3=C[C@](C)(c4ccc(OC(F)(F)F)cc4)ON3)cn2)cn1
InChIInChI=1S/C20H17F3N4O3/c1-19(14-3-5-15(6-4-14)29-20(21,22)23)9-18(26-30-19)28-16-7-8-17(24-11-16)13-10-25-27(2)12-13/h3-12,26H,1-2H3/t19-/m1/s1
InChIKeyRWHQVDLMTNMYMT-LJQANCHMSA-N
MW418.38 g/mol
LogP4.05
Rot. Bonds5

About (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole

(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole (PubChem CID 123388479) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
PubChem CID123388479
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
SMILESCn1cc(-c2ccc(OC3=C[C@](C)(c4ccc(OC(F)(F)F)cc4)ON3)cn2)cn1
InChIInChI=1S/C20H17F3N4O3/c1-19(14-3-5-15(6-4-14)29-20(21,22)23)9-18(26-30-19)28-16-7-8-17(24-11-16)13-10-25-27(2)12-13/h3-12,26H,1-2H3/t19-/m1/s1
InChIKeyRWHQVDLMTNMYMT-LJQANCHMSA-N
XLogP4.05
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The IUPAC name of (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole (CID 123388479) is (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole.
What is the SMILES notation for (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The canonical SMILES for (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole is Cn1cc(-c2ccc(OC3=C[C@](C)(c4ccc(OC(F)(F)F)cc4)ON3)cn2)cn1.
What is the InChIKey of (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The InChIKey is RWHQVDLMTNMYMT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-19(14-3-5-15(6-4-14)29-20(21,22)23)9-18(26-30-19)28-16-7-8-17(24-11-16)13-10-25-27(2)12-13/h3-12,26H,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole has a molecular weight of 418.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 123388479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).