methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate

C18H22N2O6 — CID 59921690

IUPACmethyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(-c2nc(C)no2)ccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C18H22N2O6/c1-11-19-17(26-20-11)12-6-7-14(13(8-12)9-15(21)23-5)24-10-16(22)25-18(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeyZQNDXZIWCUGSOP-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.48
Rot. Bonds6

About methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate

methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate (PubChem CID 59921690) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate
PubChem CID59921690
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Namemethyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cc(-c2nc(C)no2)ccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C18H22N2O6/c1-11-19-17(26-20-11)12-6-7-14(13(8-12)9-15(21)23-5)24-10-16(22)25-18(2,3)4/h6-8H,9-10H2,1-5H3
InChIKeyZQNDXZIWCUGSOP-UHFFFAOYSA-N
XLogP2.48
TPSA100.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate (CID 59921690) is methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1cc(-c2nc(C)no2)ccc1OCC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate?
The InChIKey is ZQNDXZIWCUGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-11-19-17(26-20-11)12-6-7-14(13(8-12)9-15(21)23-5)24-10-16(22)25-18(2,3)4/h6-8H,9-10H2,1-5H3.
What are the key properties of methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate?
methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate has a molecular weight of 362.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 59921690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).