2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid

C13H15NO5 — CID 175359062

IUPAC2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(CCN2CCOC2)c1
InChIInChI=1S/C13H15NO5/c15-12(16)10-1-2-11(13(17)18)9(7-10)3-4-14-5-6-19-8-14/h1-2,7H,3-6,8H2,(H,15,16)(H,17,18)
InChIKeyMXTZTCUMNHYEHE-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid

2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid (PubChem CID 175359062) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid.

Molecular Properties

Compound Name2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid
PubChem CID175359062
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(CCN2CCOC2)c1
InChIInChI=1S/C13H15NO5/c15-12(16)10-1-2-11(13(17)18)9(7-10)3-4-14-5-6-19-8-14/h1-2,7H,3-6,8H2,(H,15,16)(H,17,18)
InChIKeyMXTZTCUMNHYEHE-UHFFFAOYSA-N
XLogP0.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
CID 18937435
2-(chloromethyl)terephthalic acid
CID 90704685
2-heptadecylterephthalic acid
CID 19597057
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
CID 131887032
CID 131887032
4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid
CID 174663863
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid?
The IUPAC name of 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid (CID 175359062) is 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid.
What is the SMILES notation for 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid?
The canonical SMILES for 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid is O=C(O)c1ccc(C(=O)O)c(CCN2CCOC2)c1.
What is the InChIKey of 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid?
The InChIKey is MXTZTCUMNHYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)10-1-2-11(13(17)18)9(7-10)3-4-14-5-6-19-8-14/h1-2,7H,3-6,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid?
2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid has a molecular weight of 265.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid is sourced from PubChem (CID 175359062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).