5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole

C22H21FN4O2 — CID 91458183

IUPAC5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole
SMILESCn1cc(-c2cc(Oc3ccc(-c4cc(C(C)(C)C)on4)c(F)c3)ccn2)cn1
InChIInChI=1S/C22H21FN4O2/c1-22(2,3)21-11-20(26-29-21)17-6-5-15(9-18(17)23)28-16-7-8-24-19(10-16)14-12-25-27(4)13-14/h5-13H,1-4H3
InChIKeyBEAQHMUFRZDCCS-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.37
Rot. Bonds4

About 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole

5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole (PubChem CID 91458183) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole
PubChem CID91458183
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole
SMILESCn1cc(-c2cc(Oc3ccc(-c4cc(C(C)(C)C)on4)c(F)c3)ccn2)cn1
InChIInChI=1S/C22H21FN4O2/c1-22(2,3)21-11-20(26-29-21)17-6-5-15(9-18(17)23)28-16-7-8-24-19(10-16)14-12-25-27(4)13-14/h5-13H,1-4H3
InChIKeyBEAQHMUFRZDCCS-UHFFFAOYSA-N
XLogP5.37
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole (CID 91458183) is 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole is Cn1cc(-c2cc(Oc3ccc(-c4cc(C(C)(C)C)on4)c(F)c3)ccn2)cn1.
What is the InChIKey of 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole?
The InChIKey is BEAQHMUFRZDCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-22(2,3)21-11-20(26-29-21)17-6-5-15(9-18(17)23)28-16-7-8-24-19(10-16)14-12-25-27(4)13-14/h5-13H,1-4H3.
What are the key properties of 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole?
5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole has a molecular weight of 392.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 91458183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).