methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate

C10H16N2O3 — CID 118962376

IUPACmethyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(C2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c1-14-10(13)8-6-11-9(12-8)7-2-4-15-5-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRODLILHUAFPENL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.04
Rot. Bonds2

About methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate

methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate (PubChem CID 118962376) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate
PubChem CID118962376
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(C2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c1-14-10(13)8-6-11-9(12-8)7-2-4-15-5-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRODLILHUAFPENL-UHFFFAOYSA-N
XLogP-0.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate (CID 118962376) is methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate is COC(=O)C1CN=C(C2CCOCC2)N1.
What is the InChIKey of methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate?
The InChIKey is RODLILHUAFPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-10(13)8-6-11-9(12-8)7-2-4-15-5-3-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate?
methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 118962376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).