[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate

C23H17F2N3O7 — CID 46672288

IUPAC[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(-c2noc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C23H17F2N3O7/c1-31-18-11-14(6-9-16(18)34-23(24)25)20-27-19(35-28-20)12-33-22(30)13-4-7-15(8-5-13)26-21(29)17-3-2-10-32-17/h2-11,23H,12H2,1H3,(H,26,29)
InChIKeyHZUDTFXOXNKHOY-UHFFFAOYSA-N
MW485.40 g/mol
LogP4.55
Rot. Bonds9

About [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate

[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 46672288) has the molecular formula C23H17F2N3O7 and a molecular weight of 485.40 g/mol. Its IUPAC name is [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
PubChem CID46672288
Molecular FormulaC23H17F2N3O7
Molecular Weight485.40 g/mol
Exact Mass485.10
IUPAC Name[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(-c2noc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C23H17F2N3O7/c1-31-18-11-14(6-9-16(18)34-23(24)25)20-27-19(35-28-20)12-33-22(30)13-4-7-15(8-5-13)26-21(29)17-3-2-10-32-17/h2-11,23H,12H2,1H3,(H,26,29)
InChIKeyHZUDTFXOXNKHOY-UHFFFAOYSA-N
XLogP4.55
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-ethylbenzoate
CID 46810301
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate
CID 46810146
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 8909683
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 46605884
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-fluorobenzoate
CID 46630135
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 46810215
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
N-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27781098
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate
CID 46810022
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319558
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-naphthalen-2-yloxyacetate
CID 46810370

Frequently Asked Questions

What is the IUPAC name of [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate (CID 46672288) is [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate is COc1cc(-c2noc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)ccc1OC(F)F.
What is the InChIKey of [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is HZUDTFXOXNKHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O7/c1-31-18-11-14(6-9-16(18)34-23(24)25)20-27-19(35-28-20)12-33-22(30)13-4-7-15(8-5-13)26-21(29)17-3-2-10-32-17/h2-11,23H,12H2,1H3,(H,26,29).
What are the key properties of [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate?
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 485.40 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 46672288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).