4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid

C8H13N3O3 — CID 82397927

IUPAC4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)CCc1onc(C(=O)O)c1N
InChIInChI=1S/C8H13N3O3/c1-11(2)4-3-5-6(9)7(8(12)13)10-14-5/h3-4,9H2,1-2H3,(H,12,13)
InChIKeyCEJSLBGMSJWLRC-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.06
Rot. Bonds4

About 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid

4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 82397927) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID82397927
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)CCc1onc(C(=O)O)c1N
InChIInChI=1S/C8H13N3O3/c1-11(2)4-3-5-6(9)7(8(12)13)10-14-5/h3-4,9H2,1-2H3,(H,12,13)
InChIKeyCEJSLBGMSJWLRC-UHFFFAOYSA-N
XLogP0.06
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid (CID 82397927) is 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid is CN(C)CCc1onc(C(=O)O)c1N.
What is the InChIKey of 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is CEJSLBGMSJWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11(2)4-3-5-6(9)7(8(12)13)10-14-5/h3-4,9H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid?
4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82397927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).