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

C23H18FN3O3 — CID 35521878

IUPACN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-29-20-10-8-15(9-11-20)12-21(28)25-19-7-3-4-16(14-19)22-26-23(30-27-22)17-5-2-6-18(24)13-17/h2-11,13-14H,12H2,1H3,(H,25,28)
InChIKeyJWXBLINMIIMDGW-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.73
Rot. Bonds6

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

N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 35521878) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID35521878
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-29-20-10-8-15(9-11-20)12-21(28)25-19-7-3-4-16(14-19)22-26-23(30-27-22)17-5-2-6-18(24)13-17/h2-11,13-14H,12H2,1H3,(H,25,28)
InChIKeyJWXBLINMIIMDGW-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71497244
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 35521878) is N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JWXBLINMIIMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-29-20-10-8-15(9-11-20)12-21(28)25-19-7-3-4-16(14-19)22-26-23(30-27-22)17-5-2-6-18(24)13-17/h2-11,13-14H,12H2,1H3,(H,25,28).
What are the key properties of N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 35521878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).