5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid

C9H14N2O3 — CID 165440223

IUPAC5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCN(CC)c1oc(C)nc1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-4-11(5-2)8-7(9(12)13)10-6(3)14-8/h4-5H2,1-3H3,(H,12,13)
InChIKeyQCYIPFNDZBZKAB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.53
Rot. Bonds4

About 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid

5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 165440223) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID165440223
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCN(CC)c1oc(C)nc1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-4-11(5-2)8-7(9(12)13)10-6(3)14-8/h4-5H2,1-3H3,(H,12,13)
InChIKeyQCYIPFNDZBZKAB-UHFFFAOYSA-N
XLogP1.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid (CID 165440223) is 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid is CCN(CC)c1oc(C)nc1C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is QCYIPFNDZBZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-11(5-2)8-7(9(12)13)10-6(3)14-8/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid?
5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 165440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).