N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide

C20H20FN3O4 — CID 17435515

IUPACN-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H20FN3O4/c1-27-12-11-23(13-15-5-3-2-4-6-15)18(25)14-24-20(26)28-19(22-24)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyTZUQYCJPNIJKBC-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.32
Rot. Bonds8

About N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide

N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 17435515) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide
PubChem CID17435515
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H20FN3O4/c1-27-12-11-23(13-15-5-3-2-4-6-15)18(25)14-24-20(26)28-19(22-24)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyTZUQYCJPNIJKBC-UHFFFAOYSA-N
XLogP2.32
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide (CID 17435515) is N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is TZUQYCJPNIJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-27-12-11-23(13-15-5-3-2-4-6-15)18(25)14-24-20(26)28-19(22-24)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3.
What are the key properties of N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide?
N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 17435515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).