4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt

C19H21Br2CoN3O2 — CID 175846067

IUPAC4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt
SMILESCC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Br)cc2Br)n1.[Co]
InChIInChI=1S/C19H21Br2N3O2.Co/c1-18(2,3)12-8-25-16(22-12)14-10(20)7-11(21)15(24-14)17-23-13(9-26-17)19(4,5)6;/h7-9H,1-6H3;
InChIKeyPYGPNWRMFJAHNC-UHFFFAOYSA-N
MW542.14 g/mol
LogP6.51
Rot. Bonds2

About 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt

4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt (PubChem CID 175846067) has the molecular formula C19H21Br2CoN3O2 and a molecular weight of 542.14 g/mol. Its IUPAC name is 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt.

Molecular Properties

Compound Name4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt
PubChem CID175846067
Molecular FormulaC19H21Br2CoN3O2
Molecular Weight542.14 g/mol
Exact Mass539.93
IUPAC Name4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt
SMILESCC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Br)cc2Br)n1.[Co]
InChIInChI=1S/C19H21Br2N3O2.Co/c1-18(2,3)12-8-25-16(22-12)14-10(20)7-11(21)15(24-14)17-23-13(9-26-17)19(4,5)6;/h7-9H,1-6H3;
InChIKeyPYGPNWRMFJAHNC-UHFFFAOYSA-N
XLogP6.51
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.14
LogP ≤ 56.51
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-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt?
The IUPAC name of 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt (CID 175846067) is 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt.
What is the SMILES notation for 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt?
The canonical SMILES for 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt is CC(C)(C)c1coc(-c2nc(-c3nc(C(C)(C)C)co3)c(Br)cc2Br)n1.[Co].
What is the InChIKey of 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt?
The InChIKey is PYGPNWRMFJAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N3O2.Co/c1-18(2,3)12-8-25-16(22-12)14-10(20)7-11(21)15(24-14)17-23-13(9-26-17)19(4,5)6;/h7-9H,1-6H3;.
What are the key properties of 4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt?
4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt has a molecular weight of 542.14 g/mol, XLogP of 6.51, 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-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt is sourced from PubChem (CID 175846067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).