2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole

C15H20N3O2+ — CID 122386748

IUPAC2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c[nH+]cc(C3=NC(C)(C)CO3)c2)=N1
InChIInChI=1S/C15H19N3O2/c1-14(2)8-19-12(17-14)10-5-11(7-16-6-10)13-18-15(3,4)9-20-13/h5-7H,8-9H2,1-4H3/p+1
InChIKeyXRVBRZCXKWSBAK-UHFFFAOYSA-O
MW274.34 g/mol
LogP1.61
Rot. Bonds2

About 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 122386748) has the molecular formula C15H20N3O2+ and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID122386748
Molecular FormulaC15H20N3O2+
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c[nH+]cc(C3=NC(C)(C)CO3)c2)=N1
InChIInChI=1S/C15H19N3O2/c1-14(2)8-19-12(17-14)10-5-11(7-16-6-10)13-18-15(3,4)9-20-13/h5-7H,8-9H2,1-4H3/p+1
InChIKeyXRVBRZCXKWSBAK-UHFFFAOYSA-O
XLogP1.61
TPSA57.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-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

Related Compounds

2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-nitrophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5255425
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
CID 12867078
4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
CID 45099307
tetrakis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]boranuide
CID 53355034
1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-methylphenyl]ethanol
CID 54101058
2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250689
2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250578
[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
CID 21464223
4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
CID 175216968
2-(4-bromo-2-deuteriophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 122212430

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 122386748) is 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2c[nH+]cc(C3=NC(C)(C)CO3)c2)=N1.
What is the InChIKey of 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XRVBRZCXKWSBAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O2/c1-14(2)8-19-12(17-14)10-5-11(7-16-6-10)13-18-15(3,4)9-20-13/h5-7H,8-9H2,1-4H3/p+1.
What are the key properties of 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 274.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 122386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).