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

C19H18FN3O3 — CID 110411078

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C19H18FN3O3/c1-25-15-8-6-14(7-9-15)19-22-18(26-23-19)12-17(24)21-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyFDWZVXHAVUYPMT-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.79
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110411078) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110411078
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C19H18FN3O3/c1-25-15-8-6-14(7-9-15)19-22-18(26-23-19)12-17(24)21-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyFDWZVXHAVUYPMT-UHFFFAOYSA-N
XLogP2.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51310068
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
4-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110610667
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110411078) is N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is COc1ccc(-c2noc(CC(=O)NCCc3ccccc3F)n2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is FDWZVXHAVUYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-15-8-6-14(7-9-15)19-22-18(26-23-19)12-17(24)21-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110411078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).