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

C23H19N3O3 — CID 53103317

IUPACN-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-4-3-5-18(14-15)23-25-22(26-29-23)17-6-10-20(11-7-17)28-21-12-8-19(9-13-21)24-16(2)27/h3-14H,1-2H3,(H,24,27)
InChIKeyUQVQPFAXOSROSN-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.46
Rot. Bonds5

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

N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (PubChem CID 53103317) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
PubChem CID53103317
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-4-3-5-18(14-15)23-25-22(26-29-23)17-6-10-20(11-7-17)28-21-12-8-19(9-13-21)24-16(2)27/h3-14H,1-2H3,(H,24,27)
InChIKeyUQVQPFAXOSROSN-UHFFFAOYSA-N
XLogP5.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 168521112
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103325
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103342
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (CID 53103317) is N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)cc1.
What is the InChIKey of N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The InChIKey is UQVQPFAXOSROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-4-3-5-18(14-15)23-25-22(26-29-23)17-6-10-20(11-7-17)28-21-12-8-19(9-13-21)24-16(2)27/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 53103317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).