N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide

C21H17N3O5 — CID 30331853

IUPACN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C21H17N3O5/c1-26-14-8-10-15(11-9-14)28-13-19(25)22-17-6-3-2-5-16(17)21-23-20(24-29-21)18-7-4-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDAVWXTMLVOCBOH-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.02
Rot. Bonds7

About N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide

N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 30331853) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID30331853
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C21H17N3O5/c1-26-14-8-10-15(11-9-14)28-13-19(25)22-17-6-3-2-5-16(17)21-23-20(24-29-21)18-7-4-12-27-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDAVWXTMLVOCBOH-UHFFFAOYSA-N
XLogP4.02
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 30332601
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methoxybenzamide
CID 30330455
2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563338
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331603
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide (CID 30331853) is N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccco3)no2)cc1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is DAVWXTMLVOCBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-26-14-8-10-15(11-9-14)28-13-19(25)22-17-6-3-2-5-16(17)21-23-20(24-29-21)18-7-4-12-27-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide?
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 391.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 30331853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).