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

C19H18FN3O3 — CID 52906329

IUPACN-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H18FN3O3/c1-2-25-16-9-4-3-6-14(16)12-21-17(24)11-18-22-23-19(26-18)13-7-5-8-15(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyVMITXWRLKCSVLR-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.13
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52906329) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52906329
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccccc1CNC(=O)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H18FN3O3/c1-2-25-16-9-4-3-6-14(16)12-21-17(24)11-18-22-23-19(26-18)13-7-5-8-15(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyVMITXWRLKCSVLR-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52906329) is N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1ccccc1CNC(=O)Cc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is VMITXWRLKCSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-25-16-9-4-3-6-14(16)12-21-17(24)11-18-22-23-19(26-18)13-7-5-8-15(20)10-13/h3-10H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52906329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).