N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide

C18H15ClFN3O2 — CID 83288169

IUPACN-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2noc(CNC(=O)Cc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-11-2-5-13(9-15(11)19)18-22-17(25-23-18)10-21-16(24)8-12-3-6-14(20)7-4-12/h2-7,9H,8,10H2,1H3,(H,21,24)
InChIKeyBODILFQWXMUXAS-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.70
Rot. Bonds5

About N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide

N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 83288169) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID83288169
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-c2noc(CNC(=O)Cc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-11-2-5-13(9-15(11)19)18-22-17(25-23-18)10-21-16(24)8-12-3-6-14(20)7-4-12/h2-7,9H,8,10H2,1H3,(H,21,24)
InChIKeyBODILFQWXMUXAS-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 94975471
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)butanamide
CID 110313940
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706
2-(4-chlorophenyl)-N-[[3-(1-ethyl-2,3-dioxo-4H-quinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 53065405
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111612169
3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 110632199
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 83288169) is N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide is Cc1ccc(-c2noc(CNC(=O)Cc3ccc(F)cc3)n2)cc1Cl.
What is the InChIKey of N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is BODILFQWXMUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-11-2-5-13(9-15(11)19)18-22-17(25-23-18)10-21-16(24)8-12-3-6-14(20)7-4-12/h2-7,9H,8,10H2,1H3,(H,21,24).
What are the key properties of N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 359.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 83288169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).