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

C19H18FN3O3 — CID 22576942

IUPACN-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)O2)c1
InChIInChI=1S/C19H18FN3O3/c1-3-17(25)21-16-6-4-5-14(11-16)18-22-23(12(2)24)19(26-18)13-7-9-15(20)10-8-13/h4-11,19H,3H2,1-2H3,(H,21,25)
InChIKeyCRYDFIKNIVRVAE-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.41
Rot. Bonds4

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

N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide (PubChem CID 22576942) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide
PubChem CID22576942
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)O2)c1
InChIInChI=1S/C19H18FN3O3/c1-3-17(25)21-16-6-4-5-14(11-16)18-22-23(12(2)24)19(26-18)13-7-9-15(20)10-8-13/h4-11,19H,3H2,1-2H3,(H,21,25)
InChIKeyCRYDFIKNIVRVAE-UHFFFAOYSA-N
XLogP3.41
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.41
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-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide (CID 22576942) is N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2=NN(C(C)=O)C(c3ccc(F)cc3)O2)c1.
What is the InChIKey of N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide?
The InChIKey is CRYDFIKNIVRVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-17(25)21-16-6-4-5-14(11-16)18-22-23(12(2)24)19(26-18)13-7-9-15(20)10-8-13/h4-11,19H,3H2,1-2H3,(H,21,25).
What are the key properties of N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide?
N-[3-[3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide has a molecular weight of 355.37 g/mol, XLogP of 3.41, 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-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 22576942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).