4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole

C20H20Cl2F3N3O2 — CID 175846057

IUPAC4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Cl)c(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C20H20Cl2F3N3O2/c1-18(2,3)9-7-29-16(26-9)14-12(21)11(20(23,24)25)13(22)15(28-14)17-27-10(8-30-17)19(4,5)6/h7-8H,1-6H3
InChIKeyFQVPVEPAEPYMOR-UHFFFAOYSA-N
MW462.30 g/mol
LogP7.31
Rot. Bonds2

About 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole

4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole (PubChem CID 175846057) has the molecular formula C20H20Cl2F3N3O2 and a molecular weight of 462.30 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
PubChem CID175846057
Molecular FormulaC20H20Cl2F3N3O2
Molecular Weight462.30 g/mol
Exact Mass461.09
IUPAC Name4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
SMILESCC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Cl)c(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C20H20Cl2F3N3O2/c1-18(2,3)9-7-29-16(26-9)14-12(21)11(20(23,24)25)13(22)15(28-14)17-27-10(8-30-17)19(4,5)6/h7-8H,1-6H3
InChIKeyFQVPVEPAEPYMOR-UHFFFAOYSA-N
XLogP7.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.30
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole (CID 175846057) is 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole is CC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Cl)c(C(F)(F)F)c2Cl)n1.
What is the InChIKey of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The InChIKey is FQVPVEPAEPYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F3N3O2/c1-18(2,3)9-7-29-16(26-9)14-12(21)11(20(23,24)25)13(22)15(28-14)17-27-10(8-30-17)19(4,5)6/h7-8H,1-6H3.
What are the key properties of 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole has a molecular weight of 462.30 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6-(4-tert-butyl-1,3-oxazol-2-yl)-3,5-dichloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 175846057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).