5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid

C15H16N2O5 — CID 117489524

IUPAC5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)ccc1OC1CN(C)C1
InChIInChI=1S/C15H16N2O5/c1-17-7-10(8-17)21-12-4-3-9(5-14(12)20-2)13-6-11(15(18)19)16-22-13/h3-6,10H,7-8H2,1-2H3,(H,18,19)
InChIKeyLLBGHGXBRIPKIA-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.74
Rot. Bonds5

About 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid

5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117489524) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117489524
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)ccc1OC1CN(C)C1
InChIInChI=1S/C15H16N2O5/c1-17-7-10(8-17)21-12-4-3-9(5-14(12)20-2)13-6-11(15(18)19)16-22-13/h3-6,10H,7-8H2,1-2H3,(H,18,19)
InChIKeyLLBGHGXBRIPKIA-UHFFFAOYSA-N
XLogP1.74
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117494066
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 154811186
[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117489651
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16879258
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
4-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117438444

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid (CID 117489524) is 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid is COc1cc(-c2cc(C(=O)O)no2)ccc1OC1CN(C)C1.
What is the InChIKey of 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is LLBGHGXBRIPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-17-7-10(8-17)21-12-4-3-9(5-14(12)20-2)13-6-11(15(18)19)16-22-13/h3-6,10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117489524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).