[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate

C17H20N2O4 — CID 97185490

IUPAC[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
SMILESCn1ccnc1COc1ccc(C(=O)OC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-19-9-8-18-16(19)12-22-14-6-4-13(5-7-14)17(20)23-11-15-3-2-10-21-15/h4-9,15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyICAAAEOADPKRHY-OAHLLOKOSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds6

About [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate

[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate (PubChem CID 97185490) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
PubChem CID97185490
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
SMILESCn1ccnc1COc1ccc(C(=O)OC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-19-9-8-18-16(19)12-22-14-6-4-13(5-7-14)17(20)23-11-15-3-2-10-21-15/h4-9,15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyICAAAEOADPKRHY-OAHLLOKOSA-N
XLogP2.33
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17201584
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
oxolan-2-ylmethyl 3-(4-butoxybenzoyl)oxybenzoate
CID 17178841
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate (CID 97185490) is [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate is Cn1ccnc1COc1ccc(C(=O)OC[C@H]2CCCO2)cc1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate?
The InChIKey is ICAAAEOADPKRHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19-9-8-18-16(19)12-22-14-6-4-13(5-7-14)17(20)23-11-15-3-2-10-21-15/h4-9,15H,2-3,10-12H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate?
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate has a molecular weight of 316.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate is sourced from PubChem (CID 97185490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).