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

C18H16FN3O3 — CID 53049081

IUPAC2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cc3cccc(F)c3)no2)cc1
InChIInChI=1S/C18H16FN3O3/c1-24-15-7-5-13(6-8-15)18-21-16(22-25-18)11-20-17(23)10-12-3-2-4-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyJFUCXAOIUZGASC-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.74
Rot. Bonds6

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

2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 53049081) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID53049081
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cc3cccc(F)c3)no2)cc1
InChIInChI=1S/C18H16FN3O3/c1-24-15-7-5-13(6-8-15)18-21-16(22-25-18)11-20-17(23)10-12-3-2-4-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyJFUCXAOIUZGASC-UHFFFAOYSA-N
XLogP2.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95062327
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 53049081) is 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is COc1ccc(-c2nc(CNC(=O)Cc3cccc(F)c3)no2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is JFUCXAOIUZGASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-15-7-5-13(6-8-15)18-21-16(22-25-18)11-20-17(23)10-12-3-2-4-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 53049081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).