5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C12H14N2O4 — CID 61423513

IUPAC5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(Cc1ccco1)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H14N2O4/c1-2-14(7-9-4-3-5-17-9)8-10-6-11(12(15)16)13-18-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyGOQKLNFISNIBKT-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.99
Rot. Bonds6

About 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61423513) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61423513
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(Cc1ccco1)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H14N2O4/c1-2-14(7-9-4-3-5-17-9)8-10-6-11(12(15)16)13-18-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyGOQKLNFISNIBKT-UHFFFAOYSA-N
XLogP1.99
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397882
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 61423513) is 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CCN(Cc1ccco1)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GOQKLNFISNIBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-14(7-9-4-3-5-17-9)8-10-6-11(12(15)16)13-18-10/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61423513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).