methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate

C15H16N2O4 — CID 174658036

IUPACmethyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cnccn2)cc(OC(C)C)c1
InChIInChI=1S/C15H16N2O4/c1-10(2)20-12-6-11(15(18)19-3)7-13(8-12)21-14-9-16-4-5-17-14/h4-10H,1-3H3
InChIKeyLRYDUSMYNOOBHW-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.84
Rot. Bonds5

About methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate

methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate (PubChem CID 174658036) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
PubChem CID174658036
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cnccn2)cc(OC(C)C)c1
InChIInChI=1S/C15H16N2O4/c1-10(2)20-12-6-11(15(18)19-3)7-13(8-12)21-14-9-16-4-5-17-14/h4-10H,1-3H3
InChIKeyLRYDUSMYNOOBHW-UHFFFAOYSA-N
XLogP2.84
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate 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

methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
CID 174658028
methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
CID 88861682
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoate
CID 59649315
methyl 6-[3-[[amino(ethenylsulfanyl)methylidene]carbamoyl]-5-propan-2-yloxyphenoxy]pyridine-3-carboxylate
CID 142937409
methyl 3-(4-nitrophenoxy)-5-propan-2-yloxybenzoate
CID 58528840
[4-[3-propan-2-yloxy-5-(pyrazin-2-ylcarbamoyl)phenoxy]phenyl]phosphonic acid
CID 118041305
1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone
CID 86690833
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
CID 13134332
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331
methyl 2-methoxy-6-propan-2-yloxypyridine-4-carboxylate
CID 18466661

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate?
The IUPAC name of methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate (CID 174658036) is methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate.
What is the SMILES notation for methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate?
The canonical SMILES for methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate is COC(=O)c1cc(Oc2cnccn2)cc(OC(C)C)c1.
What is the InChIKey of methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate?
The InChIKey is LRYDUSMYNOOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(2)20-12-6-11(15(18)19-3)7-13(8-12)21-14-9-16-4-5-17-14/h4-10H,1-3H3.
What are the key properties of methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate?
methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate has a molecular weight of 288.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate is sourced from PubChem (CID 174658036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).