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

C17H16Br2ClCoN3O2 — CID 175846168

IUPACcobalt;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
SMILESCC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(Cl)c2Br)n1.[Co]
InChIInChI=1S/C17H16Br2ClN3O2.Co/c1-7(2)9-5-24-16(21-9)14-11(18)13(20)12(19)15(23-14)17-22-10(6-25-17)8(3)4;/h5-8H,1-4H3;
InChIKeyXHDIUQQNZOQVFK-UHFFFAOYSA-N
MW548.53 g/mol
LogP6.81
Rot. Bonds4

About 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

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 (PubChem CID 175846168) has the molecular formula C17H16Br2ClCoN3O2 and a molecular weight of 548.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecobalt;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
PubChem CID175846168
Molecular FormulaC17H16Br2ClCoN3O2
Molecular Weight548.53 g/mol
Exact Mass545.86
IUPAC Namecobalt;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
SMILESCC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(Cl)c2Br)n1.[Co]
InChIInChI=1S/C17H16Br2ClN3O2.Co/c1-7(2)9-5-24-16(21-9)14-11(18)13(20)12(19)15(23-14)17-22-10(6-25-17)8(3)4;/h5-8H,1-4H3;
InChIKeyXHDIUQQNZOQVFK-UHFFFAOYSA-N
XLogP6.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-[4-methoxy-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175895003
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 175895153
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103
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-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083524
4-propan-2-yl-1,3-oxazole-2-carboxylic acid
CID 46737737
4-tert-butyl-2-[3,5-dibromo-6-(4-tert-butyl-1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole;cobalt
CID 175846067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1coc(-c2nc(-c3nc(C(C)C)co3)c(Br)c(Cl)c2Br)n1.[Co].
What is the InChIKey of 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?
The InChIKey is XHDIUQQNZOQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2ClN3O2.Co/c1-7(2)9-5-24-16(21-9)14-11(18)13(20)12(19)15(23-14)17-22-10(6-25-17)8(3)4;/h5-8H,1-4H3;.
What are the key properties of 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?
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 has a molecular weight of 548.53 g/mol, XLogP of 6.81, 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-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 175846168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).