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

C19H26BrN3O2 — CID 75230461

IUPAC2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cc(Br)cc(C3=NC(C(C)(C)C)CO3)n2)=N1
InChIInChI=1S/C19H26BrN3O2/c1-18(2,3)14-9-24-16(22-14)12-7-11(20)8-13(21-12)17-23-15(10-25-17)19(4,5)6/h7-8,14-15H,9-10H2,1-6H3
InChIKeyZPJGGBWUQPNTDI-UHFFFAOYSA-N
MW408.34 g/mol
LogP4.23
Rot. Bonds2

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

2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 75230461) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
PubChem CID75230461
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC Name2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cc(Br)cc(C3=NC(C(C)(C)C)CO3)n2)=N1
InChIInChI=1S/C19H26BrN3O2/c1-18(2,3)14-9-24-16(22-14)12-7-11(20)8-13(21-12)17-23-15(10-25-17)19(4,5)6/h7-8,14-15H,9-10H2,1-6H3
InChIKeyZPJGGBWUQPNTDI-UHFFFAOYSA-N
XLogP4.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole (CID 75230461) is 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(c2cc(Br)cc(C3=NC(C(C)(C)C)CO3)n2)=N1.
What is the InChIKey of 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZPJGGBWUQPNTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O2/c1-18(2,3)14-9-24-16(22-14)12-7-11(20)8-13(21-12)17-23-15(10-25-17)19(4,5)6/h7-8,14-15H,9-10H2,1-6H3.
What are the key properties of 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole?
2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 408.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 75230461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).