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

C7H10N2O4 — CID 103238258

IUPAC5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCCO)on1
InChIInChI=1S/C7H10N2O4/c10-2-1-8-4-5-3-6(7(11)12)9-13-5/h3,8,10H,1-2,4H2,(H,11,12)
InChIKeyDBYCIRQFXLWJEH-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.55
Rot. Bonds5

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

5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103238258) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103238258
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCCO)on1
InChIInChI=1S/C7H10N2O4/c10-2-1-8-4-5-3-6(7(11)12)9-13-5/h3,8,10H,1-2,4H2,(H,11,12)
InChIKeyDBYCIRQFXLWJEH-UHFFFAOYSA-N
XLogP-0.55
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
5-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106238420
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106036943
5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103251678
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103238431
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106261771
5-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257001
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103254641

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid (CID 103238258) is 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNCCO)on1.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is DBYCIRQFXLWJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-2-1-8-4-5-3-6(7(11)12)9-13-5/h3,8,10H,1-2,4H2,(H,11,12).
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103238258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).