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

C17H13ClFN3O2 — CID 17101530

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)10-9-15(23)20-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,23)
InChIKeyULOCIKPSNXKEJF-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.10
Rot. Bonds5

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

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 17101530) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
PubChem CID17101530
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)10-9-15(23)20-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,23)
InChIKeyULOCIKPSNXKEJF-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-quinolin-3-ylpropanamide
CID 44578053
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 17354813
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-[4-(dimethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330757
N-[4-(diethylamino)phenyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330758
N-(9H-fluoren-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9378406
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 46969280

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide (CID 17101530) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide is O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is ULOCIKPSNXKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-14-4-2-1-3-13(14)17-21-16(24-22-17)10-9-15(23)20-12-7-5-11(19)6-8-12/h1-8H,9-10H2,(H,20,23).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 345.76 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 17101530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).