5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

C12H11NO5 — CID 82087072

IUPAC5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(OCc2ocnc2C(=O)O)cc1
InChIInChI=1S/C12H11NO5/c1-16-8-2-4-9(5-3-8)17-6-10-11(12(14)15)13-7-18-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyQNHWZVHNASHMPD-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.96
Rot. Bonds5

About 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 82087072) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID82087072
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(OCc2ocnc2C(=O)O)cc1
InChIInChI=1S/C12H11NO5/c1-16-8-2-4-9(5-3-8)17-6-10-11(12(14)15)13-7-18-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyQNHWZVHNASHMPD-UHFFFAOYSA-N
XLogP1.96
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid
CID 82090735
5-[(4-methoxyphenoxy)methyl]-2H-triazole-4-carboxylic acid
CID 117214219
5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
CID 115005649
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 96598289
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
CID 117275266
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
3-[(4-methoxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181179
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (CID 82087072) is 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is COc1ccc(OCc2ocnc2C(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is QNHWZVHNASHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-8-2-4-9(5-3-8)17-6-10-11(12(14)15)13-7-18-10/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82087072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).