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

C17H16Br2ClN3O2 — CID 175846169

IUPAC2-[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
InChIInChI=1S/C17H16Br2ClN3O2/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
InChIKeyPNZPFGINZJTWDV-UHFFFAOYSA-N
MW489.60 g/mol
LogP6.82
Rot. Bonds4

About 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

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 175846169) has the molecular formula C17H16Br2ClN3O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 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 Name2-[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 CID175846169
Molecular FormulaC17H16Br2ClN3O2
Molecular Weight489.60 g/mol
Exact Mass486.93
IUPAC Name2-[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
InChIInChI=1S/C17H16Br2ClN3O2/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
InChIKeyPNZPFGINZJTWDV-UHFFFAOYSA-N
XLogP6.82
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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.
What is the InChIKey of 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 PNZPFGINZJTWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2ClN3O2/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 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?
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 489.60 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 175846169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).