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

C12H14N2O — CID 70985460

IUPAC2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole
SMILESCCC(C)c1nc(-c2cccnc2)co1
InChIInChI=1S/C12H14N2O/c1-3-9(2)12-14-11(8-15-12)10-5-4-6-13-7-10/h4-9H,3H2,1-2H3
InChIKeyJNZOUXSWNVUTPE-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.25
Rot. Bonds3

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

2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole (PubChem CID 70985460) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole
PubChem CID70985460
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole
SMILESCCC(C)c1nc(-c2cccnc2)co1
InChIInChI=1S/C12H14N2O/c1-3-9(2)12-14-11(8-15-12)10-5-4-6-13-7-10/h4-9H,3H2,1-2H3
InChIKeyJNZOUXSWNVUTPE-UHFFFAOYSA-N
XLogP3.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole (CID 70985460) is 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole is CCC(C)c1nc(-c2cccnc2)co1.
What is the InChIKey of 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole?
The InChIKey is JNZOUXSWNVUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9(2)12-14-11(8-15-12)10-5-4-6-13-7-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole?
2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole has a molecular weight of 202.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 70985460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).