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

C21H17N3O4 — CID 45032609

IUPAC2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C21H17N3O4/c1-14-8-10-15(11-9-14)22-19(25)13-27-17-6-3-2-5-16(17)20-23-21(28-24-20)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDZEGSXVMESLNOO-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.32
Rot. Bonds6

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

2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 45032609) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID45032609
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C21H17N3O4/c1-14-8-10-15(11-9-14)22-19(25)13-27-17-6-3-2-5-16(17)20-23-21(28-24-20)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyDZEGSXVMESLNOO-UHFFFAOYSA-N
XLogP4.32
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 45032616
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040
2-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-nitrophenyl)acetamide
CID 50745972
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
N-(2,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46264826
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 45032694

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide (CID 45032609) is 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is DZEGSXVMESLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-8-10-15(11-9-14)22-19(25)13-27-17-6-3-2-5-16(17)20-23-21(28-24-20)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 45032609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).