3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid

C19H28N2O4 — CID 67645361

IUPAC3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid
SMILESO=C(O)C(CC1CCNO1)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C19H28N2O4/c22-19(23)18(13-17-7-11-21-25-17)15-1-3-16(4-2-15)24-12-8-14-5-9-20-10-6-14/h1-4,14,17-18,20-21H,5-13H2,(H,22,23)
InChIKeyVBYIASCVPVFUNA-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.31
Rot. Bonds8

About 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid

3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid (PubChem CID 67645361) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid
PubChem CID67645361
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid
SMILESO=C(O)C(CC1CCNO1)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C19H28N2O4/c22-19(23)18(13-17-7-11-21-25-17)15-1-3-16(4-2-15)24-12-8-14-5-9-20-10-6-14/h1-4,14,17-18,20-21H,5-13H2,(H,22,23)
InChIKeyVBYIASCVPVFUNA-UHFFFAOYSA-N
XLogP2.31
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
2-amino-1-[4-(2-piperidin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 170861062
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
butanedioate;ethane;4-(2-piperidin-4-ylethoxy)benzoate
CID 19748242
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
4-[4-(2-cyclohexylethoxy)phenyl]sulfonylpiperidine
CID 59862389
2-[4-[2-[4-(1,2-dicarboxyethyl)phenoxy]ethoxy]phenyl]butanedioic acid
CID 5159637
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid?
The IUPAC name of 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid (CID 67645361) is 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid is O=C(O)C(CC1CCNO1)c1ccc(OCCC2CCNCC2)cc1.
What is the InChIKey of 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid?
The InChIKey is VBYIASCVPVFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(23)18(13-17-7-11-21-25-17)15-1-3-16(4-2-15)24-12-8-14-5-9-20-10-6-14/h1-4,14,17-18,20-21H,5-13H2,(H,22,23).
What are the key properties of 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid?
3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 67645361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).