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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Related Compounds

2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
2-butan-2-yl-4-(chloromethyl)-1,3-oxazole
CID 15726803
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
CID 70985467
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
ethane;2-pentan-3-yl-4-pyridazin-3-yl-1,3-oxazole
CID 142883982
2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one
CID 143960596
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310
4-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 115531350

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).