2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid

C11H19N3O3 — CID 102993989

IUPAC2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESCCN(CCCN(C)C)c1nc(C(=O)O)co1
InChIInChI=1S/C11H19N3O3/c1-4-14(7-5-6-13(2)3)11-12-9(8-17-11)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyDBUAEFLWGUSIGQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.15
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid

2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 102993989) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID102993989
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESCCN(CCCN(C)C)c1nc(C(=O)O)co1
InChIInChI=1S/C11H19N3O3/c1-4-14(7-5-6-13(2)3)11-12-9(8-17-11)10(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyDBUAEFLWGUSIGQ-UHFFFAOYSA-N
XLogP1.15
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102993970
N'-[4-[(cyclopropylamino)methyl]-1,3-oxazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997428
5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 102993982
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
2-bromo-4-[3-(dimethylamino)propyl-ethylamino]-3-fluorobenzoic acid
CID 107540550
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
3-[N-[3-(dimethylamino)propyl]-4-ethylanilino]propanoic acid
CID 82319981
1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone
CID 83872709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid (CID 102993989) is 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid is CCN(CCCN(C)C)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DBUAEFLWGUSIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-14(7-5-6-13(2)3)11-12-9(8-17-11)10(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid?
2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 102993989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).