5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid

C11H12N2O4 — CID 104608825

IUPAC5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1cc(CNCc2cc(C(=O)O)co2)no1
InChIInChI=1S/C11H12N2O4/c1-7-2-9(13-17-7)4-12-5-10-3-8(6-16-10)11(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)
InChIKeyUIZQKZGWNGWDRU-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.56
Rot. Bonds5

About 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 104608825) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID104608825
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1cc(CNCc2cc(C(=O)O)co2)no1
InChIInChI=1S/C11H12N2O4/c1-7-2-9(13-17-7)4-12-5-10-3-8(6-16-10)11(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)
InChIKeyUIZQKZGWNGWDRU-UHFFFAOYSA-N
XLogP1.56
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608731
5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608743
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103243699
(Z)-3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243710
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid (CID 104608825) is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid is Cc1cc(CNCc2cc(C(=O)O)co2)no1.
What is the InChIKey of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is UIZQKZGWNGWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7-2-9(13-17-7)4-12-5-10-3-8(6-16-10)11(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).