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

C23H15FN4O3 — CID 53103342

IUPACN-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cc1
InChIInChI=1S/C23H15FN4O3/c1-14(29)26-17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22-27-23(31-28-22)20-11-2-15(13-25)12-21(20)24/h2-12H,1H3,(H,26,29)
InChIKeyOTYSKOXNDOZUQR-UHFFFAOYSA-N
MW414.40 g/mol
LogP5.17
Rot. Bonds5

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

N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (PubChem CID 53103342) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
PubChem CID53103342
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC NameN-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cc1
InChIInChI=1S/C23H15FN4O3/c1-14(29)26-17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22-27-23(31-28-22)20-11-2-15(13-25)12-21(20)24/h2-12H,1H3,(H,26,29)
InChIKeyOTYSKOXNDOZUQR-UHFFFAOYSA-N
XLogP5.17
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596
N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 100689196
4-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-3-fluorobenzonitrile
CID 53172634
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436
(2S)-2-(4-fluorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39867025
N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103325
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate
CID 47571605
[4-(4-cyanophenyl)phenyl] 5-acetamido-2-fluorobenzoate
CID 60564307

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (CID 53103342) is N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cc1.
What is the InChIKey of N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The InChIKey is OTYSKOXNDOZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c1-14(29)26-17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22-27-23(31-28-22)20-11-2-15(13-25)12-21(20)24/h2-12H,1H3,(H,26,29).
What are the key properties of N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide has a molecular weight of 414.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 53103342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).