5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid

C10H14N2O4 — CID 103234752

IUPAC5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCC2CCCO2)on1
InChIInChI=1S/C10H14N2O4/c13-10(14)9-4-8(16-12-9)6-11-5-7-2-1-3-15-7/h4,7,11H,1-3,5-6H2,(H,13,14)
InChIKeyXDAFXHZSUMFZRE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.64
Rot. Bonds5

About 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid

5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103234752) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103234752
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCC2CCCO2)on1
InChIInChI=1S/C10H14N2O4/c13-10(14)9-4-8(16-12-9)6-11-5-7-2-1-3-15-7/h4,7,11H,1-3,5-6H2,(H,13,14)
InChIKeyXDAFXHZSUMFZRE-UHFFFAOYSA-N
XLogP0.64
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56757805
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine;oxalic acid
CID 17052973
4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052
3-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212805
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106362476
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid (CID 103234752) is 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNCC2CCCO2)on1.
What is the InChIKey of 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is XDAFXHZSUMFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-10(14)9-4-8(16-12-9)6-11-5-7-2-1-3-15-7/h4,7,11H,1-3,5-6H2,(H,13,14).
What are the key properties of 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).