ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate

C23H18N2O6 — CID 1286715

IUPACethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1
InChIInChI=1S/C23H18N2O6/c1-2-28-23(27)19-13-12-18(30-19)14-29-22(26)17-10-8-16(9-11-17)21-25-24-20(31-21)15-6-4-3-5-7-15/h3-13H,2,14H2,1H3
InChIKeyMSNOLCKQZRSGKA-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.53
Rot. Bonds7

About ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate

ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 1286715) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID1286715
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Nameethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1
InChIInChI=1S/C23H18N2O6/c1-2-28-23(27)19-13-12-18(30-19)14-29-22(26)17-10-8-16(9-11-17)21-25-24-20(31-21)15-6-4-3-5-7-15/h3-13H,2,14H2,1H3
InChIKeyMSNOLCKQZRSGKA-UHFFFAOYSA-N
XLogP4.53
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 2108229
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
4-(1,3,4-Oxadiazol-2-yl)phenyl 5-methylfuran-2-carboxylate
CID 24981890
2-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-1-(5-methyl-2-furyl)ethanone
CID 676149
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(4-Ethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole
CID 865999
2-Methoxy-2-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-1-(5-(3,4,5-trimethoxyphenyl)furan-2-yl)ethanone
CID 53378114
[4-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-phenoxy]-acetic acid ethyl ester
CID 647355

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate (CID 1286715) is ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate is CCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1.
What is the InChIKey of ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is MSNOLCKQZRSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-2-28-23(27)19-13-12-18(30-19)14-29-22(26)17-10-8-16(9-11-17)21-25-24-20(31-21)15-6-4-3-5-7-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate?
ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 418.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 1286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).