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

C18H16FN3O3 — CID 9184205

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H16FN3O3/c1-12-4-2-3-5-14(12)10-20-16(23)11-22-18(24)25-17(21-22)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPOOAKCBTOOMIHG-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.27
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 9184205) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID9184205
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H16FN3O3/c1-12-4-2-3-5-14(12)10-20-16(23)11-22-18(24)25-17(21-22)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyPOOAKCBTOOMIHG-UHFFFAOYSA-N
XLogP2.27
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 9184205) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is POOAKCBTOOMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-12-4-2-3-5-14(12)10-20-16(23)11-22-18(24)25-17(21-22)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 9184205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).