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

C18H15ClFN3O2 — CID 94975471

IUPACN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15ClFN3O2/c19-14-3-1-2-13(10-14)18-22-17(25-23-18)11-21-16(24)9-6-12-4-7-15(20)8-5-12/h1-5,7-8,10H,6,9,11H2,(H,21,24)
InChIKeyLGDAMHOOTVSCTB-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.78
Rot. Bonds6

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

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 94975471) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID94975471
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15ClFN3O2/c19-14-3-1-2-13(10-14)18-22-17(25-23-18)11-21-16(24)9-6-12-4-7-15(20)8-5-12/h1-5,7-8,10H,6,9,11H2,(H,21,24)
InChIKeyLGDAMHOOTVSCTB-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)butanamide
CID 110313940
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)thiourea
CID 100762683
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
N-[2-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 27838881
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111612799
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide (CID 94975471) is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is LGDAMHOOTVSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-14-3-1-2-13(10-14)18-22-17(25-23-18)11-21-16(24)9-6-12-4-7-15(20)8-5-12/h1-5,7-8,10H,6,9,11H2,(H,21,24).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide?
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 359.79 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 94975471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).