5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H14N2O5 — CID 107426552

IUPAC5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(C(=O)C2CC(C(=O)O)=NO2)CCO1
InChIInChI=1S/C10H14N2O5/c1-6-5-12(2-3-16-6)9(13)8-4-7(10(14)15)11-17-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyDQNLHQGNQQNXLH-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.54
Rot. Bonds2

About 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426552) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426552
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(C(=O)C2CC(C(=O)O)=NO2)CCO1
InChIInChI=1S/C10H14N2O5/c1-6-5-12(2-3-16-6)9(13)8-4-7(10(14)15)11-17-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyDQNLHQGNQQNXLH-UHFFFAOYSA-N
XLogP-0.54
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427386
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427598
5-(3-tert-butylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427491
5-(3-propylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427494
5-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427587
(2-aminocyclopropyl)-(2-methylmorpholin-4-yl)methanone
CID 114995835
5-(3-oxo-1,4-diazepane-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427282
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427196
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
CID 24696205

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426552) is 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC1CN(C(=O)C2CC(C(=O)O)=NO2)CCO1.
What is the InChIKey of 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is DQNLHQGNQQNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6-5-12(2-3-16-6)9(13)8-4-7(10(14)15)11-17-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).