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

C17H14FN3O2 — CID 50747838

IUPACN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
SMILESCCc1noc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-15-20-17(23-21-15)11-7-9-12(10-8-11)19-16(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyQWDPLJCQXQCLGO-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.69
Rot. Bonds4

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

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide (PubChem CID 50747838) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
PubChem CID50747838
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
SMILESCCc1noc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-2-15-20-17(23-21-15)11-7-9-12(10-8-11)19-16(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyQWDPLJCQXQCLGO-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
2-methoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110643559
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 86885476
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide (CID 50747838) is N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide is CCc1noc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide?
The InChIKey is QWDPLJCQXQCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-15-20-17(23-21-15)11-7-9-12(10-8-11)19-16(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide?
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide has a molecular weight of 311.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 50747838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).