3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole

C14H18N2O — CID 129212609

IUPAC3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
SMILESCCC(C)(C)Cc1cc(-c2ccccn2)on1
InChIInChI=1S/C14H18N2O/c1-4-14(2,3)10-11-9-13(17-16-11)12-7-5-6-8-15-12/h5-9H,4,10H2,1-3H3
InChIKeyTWWLETXIQGDMOP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.72
Rot. Bonds4

About 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole

3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 129212609) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
PubChem CID129212609
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
SMILESCCC(C)(C)Cc1cc(-c2ccccn2)on1
InChIInChI=1S/C14H18N2O/c1-4-14(2,3)10-11-9-13(17-16-11)12-7-5-6-8-15-12/h5-9H,4,10H2,1-3H3
InChIKeyTWWLETXIQGDMOP-UHFFFAOYSA-N
XLogP3.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-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 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole (CID 129212609) is 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole is CCC(C)(C)Cc1cc(-c2ccccn2)on1.
What is the InChIKey of 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is TWWLETXIQGDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(2,3)10-11-9-13(17-16-11)12-7-5-6-8-15-12/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole?
3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 230.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 129212609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).