N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C23H18FN3O3 — CID 53020454

IUPACN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H18FN3O3/c1-15(28)27-23(30-22(26-27)17-10-12-19(24)13-11-17)18-8-5-9-20(14-18)25-21(29)16-6-3-2-4-7-16/h2-14,23H,1H3,(H,25,29)
InChIKeyXRAIVUYBKYJXAK-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.32
Rot. Bonds4

About N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide

N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 53020454) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID53020454
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H18FN3O3/c1-15(28)27-23(30-22(26-27)17-10-12-19(24)13-11-17)18-8-5-9-20(14-18)25-21(29)16-6-3-2-4-7-16/h2-14,23H,1H3,(H,25,29)
InChIKeyXRAIVUYBKYJXAK-UHFFFAOYSA-N
XLogP4.32
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 53020454) is N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is XRAIVUYBKYJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-15(28)27-23(30-22(26-27)17-10-12-19(24)13-11-17)18-8-5-9-20(14-18)25-21(29)16-6-3-2-4-7-16/h2-14,23H,1H3,(H,25,29).
What are the key properties of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 403.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 53020454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).