(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

C17H19N3O — CID 154729949

IUPAC(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2cccc(-c3ccccn3)n2)=N1
InChIInChI=1S/C17H19N3O/c1-17(2,3)15-11-21-16(20-15)14-9-6-8-13(19-14)12-7-4-5-10-18-12/h4-10,15H,11H2,1-3H3/t15-/m0/s1
InChIKeyDBVSDWGHUBOUNP-HNNXBMFYSA-N
MW281.36 g/mol
LogP3.34
Rot. Bonds2

About (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole (PubChem CID 154729949) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
PubChem CID154729949
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2cccc(-c3ccccn3)n2)=N1
InChIInChI=1S/C17H19N3O/c1-17(2,3)15-11-21-16(20-15)14-9-6-8-13(19-14)12-7-4-5-10-18-12/h4-10,15H,11H2,1-3H3/t15-/m0/s1
InChIKeyDBVSDWGHUBOUNP-HNNXBMFYSA-N
XLogP3.34
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole (CID 154729949) is (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2cccc(-c3ccccn3)n2)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DBVSDWGHUBOUNP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)15-11-21-16(20-15)14-9-6-8-13(19-14)12-7-4-5-10-18-12/h4-10,15H,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 281.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154729949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).