3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid

C13H13NO4 — CID 105423672

IUPAC3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESCOc1ccc(-c2cnoc2CCC(=O)O)cc1
InChIInChI=1S/C13H13NO4/c1-17-10-4-2-9(3-5-10)11-8-14-18-12(11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyLCAQCUSTQWRDNU-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.37
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid

3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid (PubChem CID 105423672) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
PubChem CID105423672
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESCOc1ccc(-c2cnoc2CCC(=O)O)cc1
InChIInChI=1S/C13H13NO4/c1-17-10-4-2-9(3-5-10)11-8-14-18-12(11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyLCAQCUSTQWRDNU-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propanoic acid
CID 105423991
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
1-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-propylurea
CID 110402428
3-(2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402430
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402400
2-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402410
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22228481
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
CID 110402364
2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
CID 105423505

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid (CID 105423672) is 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid is COc1ccc(-c2cnoc2CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid?
The InChIKey is LCAQCUSTQWRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-10-4-2-9(3-5-10)11-8-14-18-12(11)6-7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid?
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 105423672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).