2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol

C16H14BrN3O2 — CID 57481178

IUPAC2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccccn3)oc2Br)cn1
InChIInChI=1S/C16H14BrN3O2/c1-16(2,21)12-7-6-10(9-19-12)13-14(17)22-15(20-13)11-5-3-4-8-18-11/h3-9,21H,1-2H3
InChIKeyIMJVDYDKYJCEAA-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.79
Rot. Bonds3

About 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol

2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol (PubChem CID 57481178) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol
PubChem CID57481178
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccccn3)oc2Br)cn1
InChIInChI=1S/C16H14BrN3O2/c1-16(2,21)12-7-6-10(9-19-12)13-14(17)22-15(20-13)11-5-3-4-8-18-11/h3-9,21H,1-2H3
InChIKeyIMJVDYDKYJCEAA-UHFFFAOYSA-N
XLogP3.79
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol (CID 57481178) is 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2nc(-c3ccccn3)oc2Br)cn1.
What is the InChIKey of 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is IMJVDYDKYJCEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-16(2,21)12-7-6-10(9-19-12)13-14(17)22-15(20-13)11-5-3-4-8-18-11/h3-9,21H,1-2H3.
What are the key properties of 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol?
2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 360.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 57481178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).