N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide

C17H13F2N3O2 — CID 43972157

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H13F2N3O2/c18-12-7-8-13(14(19)10-12)16-21-22-17(24-16)20-15(23)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)
InChIKeyFSSDYNZBRGMENN-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.59
Rot. Bonds5

About N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide (PubChem CID 43972157) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
PubChem CID43972157
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H13F2N3O2/c18-12-7-8-13(14(19)10-12)16-21-22-17(24-16)20-15(23)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)
InChIKeyFSSDYNZBRGMENN-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43972062
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43972032
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 43972132
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43972286
2-(4-chlorophenoxy)-N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972110
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 43972265

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide (CID 43972157) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nnc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide?
The InChIKey is FSSDYNZBRGMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-7-8-13(14(19)10-12)16-21-22-17(24-16)20-15(23)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide has a molecular weight of 329.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 43972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).