(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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Related Compounds

5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
CID 90732806
N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 90976855
5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 90970036
2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
CID 90750191
(3R)-3'-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-6-(trifluoromethoxy)spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
CID 88980550
5-(2-methylpropoxy)-2-(1-methylpyrazol-4-yl)pyridine
CID 90945123
3-[4-[2-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437197
CID 58148330
CID 58148330
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581
methyl 3-[5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]-2-pyridinyl]benzoate
CID 91218110
3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
CID 175836404
(3R)-4-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-3-(trifluoromethyl)pentan-1-one
CID 158621720

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).