5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid

C14H16N2O4 — CID 106261771

IUPAC5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1CCNCc1cc(C(=O)O)no1
InChIInChI=1S/C14H16N2O4/c1-19-13-5-3-2-4-10(13)6-7-15-9-11-8-12(14(17)18)16-20-11/h2-5,8,15H,6-7,9H2,1H3,(H,17,18)
InChIKeyUJQQZGYEANTHMQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.71
Rot. Bonds7

About 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 106261771) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID106261771
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccccc1CCNCc1cc(C(=O)O)no1
InChIInChI=1S/C14H16N2O4/c1-19-13-5-3-2-4-10(13)6-7-15-9-11-8-12(14(17)18)16-20-11/h2-5,8,15H,6-7,9H2,1H3,(H,17,18)
InChIKeyUJQQZGYEANTHMQ-UHFFFAOYSA-N
XLogP1.71
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic 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

5-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257001
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 107711662
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
N-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 47009079
5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111785211

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 106261771) is 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid is COc1ccccc1CCNCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UJQQZGYEANTHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-13-5-3-2-4-10(13)6-7-15-9-11-8-12(14(17)18)16-20-11/h2-5,8,15H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106261771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).