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

C14H15NO4 — CID 82302127

IUPAC3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
SMILESCOc1ccc(-c2onc(C)c2CCC(=O)O)cc1
InChIInChI=1S/C14H15NO4/c1-9-12(7-8-13(16)17)14(19-15-9)10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyWBOFRJKNXBNMTD-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.68
Rot. Bonds5

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

3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid (PubChem CID 82302127) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
PubChem CID82302127
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
SMILESCOc1ccc(-c2onc(C)c2CCC(=O)O)cc1
InChIInChI=1S/C14H15NO4/c1-9-12(7-8-13(16)17)14(19-15-9)10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyWBOFRJKNXBNMTD-UHFFFAOYSA-N
XLogP2.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
CID 98017234
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1,2-oxazol-4-yl]methyl hydrogen carbonate
CID 162350991
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82304034
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 67357271
methyl N-[[5-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl]carbamate
CID 142610795

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid (CID 82302127) is 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid is COc1ccc(-c2onc(C)c2CCC(=O)O)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is WBOFRJKNXBNMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-12(7-8-13(16)17)14(19-15-9)10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid?
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 82302127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).