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

C18H15NO4 — CID 54846814

IUPAC5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCCc3ccccc3)cc2)on1
InChIInChI=1S/C18H15NO4/c20-18(21)16-12-17(23-19-16)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyRKJVYFKRGWZKHW-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.66
Rot. Bonds6

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

5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 54846814) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID54846814
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCCc3ccccc3)cc2)on1
InChIInChI=1S/C18H15NO4/c20-18(21)16-12-17(23-19-16)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)
InChIKeyRKJVYFKRGWZKHW-UHFFFAOYSA-N
XLogP3.66
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
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-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
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
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
4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
CID 58428394
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 54846814) is 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OCCc3ccccc3)cc2)on1.
What is the InChIKey of 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is RKJVYFKRGWZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-18(21)16-12-17(23-19-16)14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54846814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).