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

C17H15N3O2 — CID 839401

IUPACN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H15N3O2/c1-2-15(21)18-14-10-6-9-13(11-14)17-20-19-16(22-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyLGOUCXBWJIPXSC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.75
Rot. Bonds4

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

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 839401) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID839401
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H15N3O2/c1-2-15(21)18-14-10-6-9-13(11-14)17-20-19-16(22-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyLGOUCXBWJIPXSC-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 839401) is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is LGOUCXBWJIPXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-15(21)18-14-10-6-9-13(11-14)17-20-19-16(22-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,18,21).
What are the key properties of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 293.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 839401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).