4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid

C14H15NO3 — CID 82294621

IUPAC4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCCc1ccc(-c2ncoc2C(=O)O)cc1
InChIInChI=1S/C14H15NO3/c1-2-3-4-10-5-7-11(8-6-10)12-13(14(16)17)18-9-15-12/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyJCBNHVMEGKAUJT-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.38
Rot. Bonds5

About 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid

4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82294621) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID82294621
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCCc1ccc(-c2ncoc2C(=O)O)cc1
InChIInChI=1S/C14H15NO3/c1-2-3-4-10-5-7-11(8-6-10)12-13(14(16)17)18-9-15-12/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyJCBNHVMEGKAUJT-UHFFFAOYSA-N
XLogP3.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid 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

4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
CID 105489126
4-[4-(4-butylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 67379228
3-(4-butylphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82120968
5-(4-butylphenyl)pyrazine-2-carboxylic acid
CID 15919161
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
2-(4-hexylphenyl)pyrimidine-5-carboxylic acid
CID 21388858
1-(4-butyl-1,3-oxazol-5-yl)ethanone
CID 134232369
4-(4-dodecylphenyl)benzoic acid
CID 3092136
butylbenzene;carbonic acid
CID 158278492
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid (CID 82294621) is 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid is CCCCc1ccc(-c2ncoc2C(=O)O)cc1.
What is the InChIKey of 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is JCBNHVMEGKAUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-3-4-10-5-7-11(8-6-10)12-13(14(16)17)18-9-15-12/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid?
4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82294621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).