5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C19H17NO4 — CID 54846850

IUPAC5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCCCc3ccccc3)cc2)on1
InChIInChI=1S/C19H17NO4/c21-19(22)17-13-18(24-20-17)15-8-10-16(11-9-15)23-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22)
InChIKeyZLVPXXBVPQNQAG-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.05
Rot. Bonds7

About 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 54846850) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID54846850
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCCCc3ccccc3)cc2)on1
InChIInChI=1S/C19H17NO4/c21-19(22)17-13-18(24-20-17)15-8-10-16(11-9-15)23-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22)
InChIKeyZLVPXXBVPQNQAG-UHFFFAOYSA-N
XLogP4.05
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-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

5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333226
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
3,5-bis(3-phenylpropoxy)benzoic acid
CID 18951534
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 54846850) is 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OCCCc3ccccc3)cc2)on1.
What is the InChIKey of 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZLVPXXBVPQNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-19(22)17-13-18(24-20-17)15-8-10-16(11-9-15)23-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22).
What are the key properties of 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54846850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).