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

C17H13F2N3O3 — CID 9270453

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O3/c18-13-5-1-11(2-6-13)9-20-15(23)10-22-17(24)25-16(21-22)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,23)
InChIKeyTUYUNMJUWNBNOL-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.10
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 9270453) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID9270453
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O3/c18-13-5-1-11(2-6-13)9-20-15(23)10-22-17(24)25-16(21-22)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,23)
InChIKeyTUYUNMJUWNBNOL-UHFFFAOYSA-N
XLogP2.10
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 9270453) is N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is TUYUNMJUWNBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c18-13-5-1-11(2-6-13)9-20-15(23)10-22-17(24)25-16(21-22)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 345.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 9270453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).