[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate

C17H16N2O5 — CID 99809622

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H16N2O5/c1-17(2)10-22-16(21)14(17)24-15(20)11-4-3-5-12(8-11)23-13-9-18-6-7-19-13/h3-9,14H,10H2,1-2H3/t14-/m0/s1
InChIKeyDTBFEWBKFVODPI-AWEZNQCLSA-N
MW328.32 g/mol
LogP2.38
Rot. Bonds4

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate (PubChem CID 99809622) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate
PubChem CID99809622
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H16N2O5/c1-17(2)10-22-16(21)14(17)24-15(20)11-4-3-5-12(8-11)23-13-9-18-6-7-19-13/h3-9,14H,10H2,1-2H3/t14-/m0/s1
InChIKeyDTBFEWBKFVODPI-AWEZNQCLSA-N
XLogP2.38
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4,4-dimethyl-2-oxooxolan-3-yl) 3-[3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 102563691
(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 102563693
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
CID 120517586
N-methyl-N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119442827
2,2-dimethyl-5-[(3-pyrazin-2-yloxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168598826
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
CID 120518751
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate (CID 99809622) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate is CC1(C)COC(=O)[C@@H]1OC(=O)c1cccc(Oc2cnccn2)c1.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate?
The InChIKey is DTBFEWBKFVODPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-17(2)10-22-16(21)14(17)24-15(20)11-4-3-5-12(8-11)23-13-9-18-6-7-19-13/h3-9,14H,10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate has a molecular weight of 328.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate is sourced from PubChem (CID 99809622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).