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

C18H16Br2CoF3N3O2 — CID 175846092

IUPACcobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(C(F)(F)F)c2Br)n1.[Co]
InChIInChI=1S/C18H16Br2F3N3O2.Co/c1-7(2)9-5-27-16(24-9)14-12(19)11(18(21,22)23)13(20)15(26-14)17-25-10(6-28-17)8(3)4;/h5-8H,1-4H3;
InChIKeyGGQWGPOQBWUCLI-UHFFFAOYSA-N
MW582.08 g/mol
LogP7.18
Rot. Bonds4

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

cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole (PubChem CID 175846092) has the molecular formula C18H16Br2CoF3N3O2 and a molecular weight of 582.08 g/mol. Its IUPAC name is cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Namecobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
PubChem CID175846092
Molecular FormulaC18H16Br2CoF3N3O2
Molecular Weight582.08 g/mol
Exact Mass579.89
IUPAC Namecobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(C(F)(F)F)c2Br)n1.[Co]
InChIInChI=1S/C18H16Br2F3N3O2.Co/c1-7(2)9-5-27-16(24-9)14-12(19)11(18(21,22)23)13(20)15(26-14)17-25-10(6-28-17)8(3)4;/h5-8H,1-4H3;
InChIKeyGGQWGPOQBWUCLI-UHFFFAOYSA-N
XLogP7.18
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.08
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole with MolForge

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Related Compounds

cobalt;2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846168
2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846169
4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
CID 175895076
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 176796902
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
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 175895153
2-[4-methoxy-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175895003
2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115023782
4-propan-2-yl-6-[2-[2,3,4-tris(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]benzene-1,3-diol
CID 162720436
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole?
The IUPAC name of cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole (CID 175846092) is cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(C(F)(F)F)c2Br)n1.[Co].
What is the InChIKey of cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole?
The InChIKey is GGQWGPOQBWUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2F3N3O2.Co/c1-7(2)9-5-27-16(24-9)14-12(19)11(18(21,22)23)13(20)15(26-14)17-25-10(6-28-17)8(3)4;/h5-8H,1-4H3;.
What are the key properties of cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole?
cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole has a molecular weight of 582.08 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 175846092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).