N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C22H19N3O5 — CID 46266569

IUPACN-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2noc(-c3cccc(OCC(=O)NCc4ccco4)c3)n2)cc1
InChIInChI=1S/C22H19N3O5/c1-27-17-9-7-15(8-10-17)21-24-22(30-25-21)16-4-2-5-18(12-16)29-14-20(26)23-13-19-6-3-11-28-19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyVDSDDAAQNBGYIL-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.70
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 46266569) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID46266569
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2noc(-c3cccc(OCC(=O)NCc4ccco4)c3)n2)cc1
InChIInChI=1S/C22H19N3O5/c1-27-17-9-7-15(8-10-17)21-24-22(30-25-21)16-4-2-5-18(12-16)29-14-20(26)23-13-19-6-3-11-28-19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyVDSDDAAQNBGYIL-UHFFFAOYSA-N
XLogP3.70
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 46266569) is N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is COc1ccc(-c2noc(-c3cccc(OCC(=O)NCc4ccco4)c3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is VDSDDAAQNBGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-27-17-9-7-15(8-10-17)21-24-22(30-25-21)16-4-2-5-18(12-16)29-14-20(26)23-13-19-6-3-11-28-19/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 405.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 46266569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).