5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid

C10H14N2O5 — CID 106102548

IUPAC5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCC2(O)CCOC2)on1
InChIInChI=1S/C10H14N2O5/c13-9(14)8-3-7(17-12-8)4-11-5-10(15)1-2-16-6-10/h3,11,15H,1-2,4-6H2,(H,13,14)
InChIKeyNNRBSCKQVIEGCM-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.39
Rot. Bonds5

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

5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 106102548) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID106102548
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCC2(O)CCOC2)on1
InChIInChI=1S/C10H14N2O5/c13-9(14)8-3-7(17-12-8)4-11-5-10(15)1-2-16-6-10/h3,11,15H,1-2,4-6H2,(H,13,14)
InChIKeyNNRBSCKQVIEGCM-UHFFFAOYSA-N
XLogP-0.39
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106099935
5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114126003
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 106102548) is 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNCC2(O)CCOC2)on1.
What is the InChIKey of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NNRBSCKQVIEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-9(14)8-3-7(17-12-8)4-11-5-10(15)1-2-16-6-10/h3,11,15H,1-2,4-6H2,(H,13,14).
What are the key properties of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106102548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).