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

C18H13FN4O2 — CID 110334108

IUPACN-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H13FN4O2/c19-14-7-5-12(6-8-14)18-23-22-17(25-18)10-9-16(24)21-15-4-2-1-3-13(15)11-20/h1-8H,9-10H2,(H,21,24)
InChIKeySDZNCCHVKNZKBO-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.32
Rot. Bonds5

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

N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334108) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334108
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC NameN-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H13FN4O2/c19-14-7-5-12(6-8-14)18-23-22-17(25-18)10-9-16(24)21-15-4-2-1-3-13(15)11-20/h1-8H,9-10H2,(H,21,24)
InChIKeySDZNCCHVKNZKBO-UHFFFAOYSA-N
XLogP3.32
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334102
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334072
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86885344

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334108) is N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is N#Cc1ccccc1NC(=O)CCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SDZNCCHVKNZKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-14-7-5-12(6-8-14)18-23-22-17(25-18)10-9-16(24)21-15-4-2-1-3-13(15)11-20/h1-8H,9-10H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 336.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).