oxetan-3-yl 1H-imidazole-5-carboxylate

C7H8N2O3 — CID 67548118

IUPACoxetan-3-yl 1H-imidazole-5-carboxylate
SMILESO=C(OC1COC1)c1cnc[nH]1
InChIInChI=1S/C7H8N2O3/c10-7(6-1-8-4-9-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9)
InChIKeyUUQLJEDQINIOOX-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.03
Rot. Bonds2

About oxetan-3-yl 1H-imidazole-5-carboxylate

oxetan-3-yl 1H-imidazole-5-carboxylate (PubChem CID 67548118) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is oxetan-3-yl 1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 1H-imidazole-5-carboxylate
PubChem CID67548118
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Nameoxetan-3-yl 1H-imidazole-5-carboxylate
SMILESO=C(OC1COC1)c1cnc[nH]1
InChIInChI=1S/C7H8N2O3/c10-7(6-1-8-4-9-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9)
InChIKeyUUQLJEDQINIOOX-UHFFFAOYSA-N
XLogP-0.03
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 1H-imidazole-5-carboxylate?
The IUPAC name of oxetan-3-yl 1H-imidazole-5-carboxylate (CID 67548118) is oxetan-3-yl 1H-imidazole-5-carboxylate.
What is the SMILES notation for oxetan-3-yl 1H-imidazole-5-carboxylate?
The canonical SMILES for oxetan-3-yl 1H-imidazole-5-carboxylate is O=C(OC1COC1)c1cnc[nH]1.
What is the InChIKey of oxetan-3-yl 1H-imidazole-5-carboxylate?
The InChIKey is UUQLJEDQINIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7(6-1-8-4-9-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9).
What are the key properties of oxetan-3-yl 1H-imidazole-5-carboxylate?
oxetan-3-yl 1H-imidazole-5-carboxylate has a molecular weight of 168.15 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 1H-imidazole-5-carboxylate is sourced from PubChem (CID 67548118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).