2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole

C11H13N3O — CID 70917872

IUPAC2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole
SMILESCCC(C)c1nc(-c2ccncn2)co1
InChIInChI=1S/C11H13N3O/c1-3-8(2)11-14-10(6-15-11)9-4-5-12-7-13-9/h4-8H,3H2,1-2H3
InChIKeyJYPRABFXAGHVPR-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.65
Rot. Bonds3

About 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole

2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole (PubChem CID 70917872) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole
PubChem CID70917872
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole
SMILESCCC(C)c1nc(-c2ccncn2)co1
InChIInChI=1S/C11H13N3O/c1-3-8(2)11-14-10(6-15-11)9-4-5-12-7-13-9/h4-8H,3H2,1-2H3
InChIKeyJYPRABFXAGHVPR-UHFFFAOYSA-N
XLogP2.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole?
The IUPAC name of 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole (CID 70917872) is 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole?
The canonical SMILES for 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole is CCC(C)c1nc(-c2ccncn2)co1.
What is the InChIKey of 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole?
The InChIKey is JYPRABFXAGHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-8(2)11-14-10(6-15-11)9-4-5-12-7-13-9/h4-8H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole?
2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole has a molecular weight of 203.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-pyrimidin-4-yl-1,3-oxazole is sourced from PubChem (CID 70917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).