5-(3-ethoxypropyl)-1H-imidazole;oxalic acid

C10H16N2O5 — CID 11402277

IUPAC5-(3-ethoxypropyl)-1H-imidazole;oxalic acid
SMILESCCOCCCc1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C8H14N2O.C2H2O4/c1-2-11-5-3-4-8-6-9-7-10-8;3-1(4)2(5)6/h6-7H,2-5H2,1H3,(H,9,10);(H,3,4)(H,5,6)
InChIKeyFRAWCVVDBBMGHN-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.53
Rot. Bonds5

About 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid

5-(3-ethoxypropyl)-1H-imidazole;oxalic acid (PubChem CID 11402277) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid.

Molecular Properties

Compound Name5-(3-ethoxypropyl)-1H-imidazole;oxalic acid
PubChem CID11402277
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name5-(3-ethoxypropyl)-1H-imidazole;oxalic acid
SMILESCCOCCCc1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C8H14N2O.C2H2O4/c1-2-11-5-3-4-8-6-9-7-10-8;3-1(4)2(5)6/h6-7H,2-5H2,1H3,(H,9,10);(H,3,4)(H,5,6)
InChIKeyFRAWCVVDBBMGHN-UHFFFAOYSA-N
XLogP0.53
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid?
The IUPAC name of 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid (CID 11402277) is 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid.
What is the SMILES notation for 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid?
The canonical SMILES for 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid is CCOCCCc1cnc[nH]1.O=C(O)C(=O)O.
What is the InChIKey of 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid?
The InChIKey is FRAWCVVDBBMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2H2O4/c1-2-11-5-3-4-8-6-9-7-10-8;3-1(4)2(5)6/h6-7H,2-5H2,1H3,(H,9,10);(H,3,4)(H,5,6).
What are the key properties of 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid?
5-(3-ethoxypropyl)-1H-imidazole;oxalic acid has a molecular weight of 244.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropyl)-1H-imidazole;oxalic acid is sourced from PubChem (CID 11402277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).