4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole

C15H19NO2 — CID 173344567

IUPAC4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCCC(Cc1coc(-c2ccc(C)cc2)n1)OC
InChIInChI=1S/C15H19NO2/c1-4-14(17-3)9-13-10-18-15(16-13)12-7-5-11(2)6-8-12/h5-8,10,14H,4,9H2,1-3H3
InChIKeyFIUSRBWJWVYCTB-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.62
Rot. Bonds5

About 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole

4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 173344567) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID173344567
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCCC(Cc1coc(-c2ccc(C)cc2)n1)OC
InChIInChI=1S/C15H19NO2/c1-4-14(17-3)9-13-10-18-15(16-13)12-7-5-11(2)6-8-12/h5-8,10,14H,4,9H2,1-3H3
InChIKeyFIUSRBWJWVYCTB-UHFFFAOYSA-N
XLogP3.62
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxybutyl)-2-(4-methylphenyl)-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

1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 58119009
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
CID 56665812
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
1-(1-methoxypropan-2-yl)-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111813905
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
CID 62639418

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole (CID 173344567) is 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole is CCC(Cc1coc(-c2ccc(C)cc2)n1)OC.
What is the InChIKey of 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is FIUSRBWJWVYCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-14(17-3)9-13-10-18-15(16-13)12-7-5-11(2)6-8-12/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole?
4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 245.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 173344567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).