[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate

C16H13ClN2O5 — CID 8615694

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H13ClN2O5/c1-21-12-5-4-11(17)7-10(12)8-15(20)23-9-14-18-19-16(24-14)13-3-2-6-22-13/h2-7H,8-9H2,1H3
InChIKeyFWYZJWXFOHMYPX-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.28
Rot. Bonds6

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615694) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615694
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H13ClN2O5/c1-21-12-5-4-11(17)7-10(12)8-15(20)23-9-14-18-19-16(24-14)13-3-2-6-22-13/h2-7H,8-9H2,1H3
InChIKeyFWYZJWXFOHMYPX-UHFFFAOYSA-N
XLogP3.28
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554956
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-nitrophenyl)acetate
CID 8765731
2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 8533570
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454493
(5-chloro-2-methoxyphenyl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46660052
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726302

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615694) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is FWYZJWXFOHMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-21-12-5-4-11(17)7-10(12)8-15(20)23-9-14-18-19-16(24-14)13-3-2-6-22-13/h2-7H,8-9H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 348.74 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).