5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid

C13H13NO4 — CID 54846705

IUPAC5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCCOc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C13H13NO4/c1-2-7-17-10-5-3-9(4-6-10)12-8-11(13(15)16)14-18-12/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyJFFOATWIYMSIAF-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.83
Rot. Bonds5

About 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 54846705) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID54846705
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCCOc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C13H13NO4/c1-2-7-17-10-5-3-9(4-6-10)12-8-11(13(15)16)14-18-12/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyJFFOATWIYMSIAF-UHFFFAOYSA-N
XLogP2.83
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
(Z)-3-(4-dodecoxy-2-hydroxyphenyl)-1-[5-(4-dodecoxyphenyl)-1,2-oxazol-3-yl]-3-hydroxyprop-2-en-1-one
CID 122232989
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
N-[[5-(4-butoxyphenyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846827

Frequently Asked Questions

What is the IUPAC name of 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 54846705) is 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid is CCCOc1ccc(-c2cc(C(=O)O)no2)cc1.
What is the InChIKey of 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is JFFOATWIYMSIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-7-17-10-5-3-9(4-6-10)12-8-11(13(15)16)14-18-12/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54846705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).