methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate

C21H21NO7 — CID 7625888

IUPACmethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)oc1C
InChIInChI=1S/C21H21NO7/c1-12-19(14(3)29-22-12)11-26-16-7-5-15(6-8-16)20(23)27-10-17-9-18(13(2)28-17)21(24)25-4/h5-9H,10-11H2,1-4H3
InChIKeySJKQMVOAEOPYBV-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.92
Rot. Bonds7

About methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate

methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate (PubChem CID 7625888) has the molecular formula C21H21NO7 and a molecular weight of 399.40 g/mol. Its IUPAC name is methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
PubChem CID7625888
Molecular FormulaC21H21NO7
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC Namemethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)oc1C
InChIInChI=1S/C21H21NO7/c1-12-19(14(3)29-22-12)11-26-16-7-5-15(6-8-16)20(23)27-10-17-9-18(13(2)28-17)21(24)25-4/h5-9H,10-11H2,1-4H3
InChIKeySJKQMVOAEOPYBV-UHFFFAOYSA-N
XLogP3.92
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid;methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate;methyl 4-hydroxybenzoate
CID 160813893
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2635286
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4797668
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate (CID 7625888) is methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)oc1C.
What is the InChIKey of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate?
The InChIKey is SJKQMVOAEOPYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7/c1-12-19(14(3)29-22-12)11-26-16-7-5-15(6-8-16)20(23)27-10-17-9-18(13(2)28-17)21(24)25-4/h5-9H,10-11H2,1-4H3.
What are the key properties of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate?
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 7625888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).