(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate

C14H14N2O5 — CID 18777229

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cnc(C)cn2)oc1C
InChIInChI=1S/C14H14N2O5/c1-8-5-16-12(6-15-8)14(18)20-7-10-4-11(9(2)21-10)13(17)19-3/h4-6H,7H2,1-3H3
InChIKeyATVNKCLSJBKPSZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.83
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate (PubChem CID 18777229) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
PubChem CID18777229
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cnc(C)cn2)oc1C
InChIInChI=1S/C14H14N2O5/c1-8-5-16-12(6-15-8)14(18)20-7-10-4-11(9(2)21-10)13(17)19-3/h4-6H,7H2,1-3H3
InChIKeyATVNKCLSJBKPSZ-UHFFFAOYSA-N
XLogP1.83
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30096308
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2098215
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-(adamantane-1-carbonyloxymethyl)-2-methylfuran-3-carboxylate
CID 7867022
methyl 2-methyl-5-[[2-(2,4,6-trimethylphenoxy)acetyl]oxymethyl]furan-3-carboxylate
CID 7997567
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[(2-chloro-5-nitrobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7813414

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate (CID 18777229) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate is COC(=O)c1cc(COC(=O)c2cnc(C)cn2)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is ATVNKCLSJBKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-5-16-12(6-15-8)14(18)20-7-10-4-11(9(2)21-10)13(17)19-3/h4-6H,7H2,1-3H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 18777229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).