5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid

C9H12N2O4 — CID 83580355

IUPAC5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN1CCOCC1
InChIInChI=1S/C9H12N2O4/c12-9(13)7-5-10-15-8(7)6-11-1-3-14-4-2-11/h5H,1-4,6H2,(H,12,13)
InChIKeyMASHFBUKFZAUKY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.20
Rot. Bonds3

About 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid

5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 83580355) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID83580355
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN1CCOCC1
InChIInChI=1S/C9H12N2O4/c12-9(13)7-5-10-15-8(7)6-11-1-3-14-4-2-11/h5H,1-4,6H2,(H,12,13)
InChIKeyMASHFBUKFZAUKY-UHFFFAOYSA-N
XLogP0.20
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid (CID 83580355) is 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1CN1CCOCC1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is MASHFBUKFZAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-9(13)7-5-10-15-8(7)6-11-1-3-14-4-2-11/h5H,1-4,6H2,(H,12,13).
What are the key properties of 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid?
5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 83580355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).