5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid

C8H7N3O3 — CID 83580935

IUPAC5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1Cn1ccnc1
InChIInChI=1S/C8H7N3O3/c12-8(13)6-3-10-14-7(6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyHRSRHENYUNBZIZ-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.62
Rot. Bonds3

About 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid

5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 83580935) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID83580935
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1Cn1ccnc1
InChIInChI=1S/C8H7N3O3/c12-8(13)6-3-10-14-7(6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyHRSRHENYUNBZIZ-UHFFFAOYSA-N
XLogP0.62
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid (CID 83580935) is 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1Cn1ccnc1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is HRSRHENYUNBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-8(13)6-3-10-14-7(6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid?
5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 83580935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).