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

C18H14BrClFN3O3S — CID 42889115

IUPACN-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H14BrClFN3O3S/c1-10(17(25)22-15-7-2-11(19)8-14(15)21)28-18-24-23-16(27-18)9-26-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyGPRBLGCCHMRPNJ-UHFFFAOYSA-N
MW486.75 g/mol
LogP5.32
Rot. Bonds7

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

N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 42889115) has the molecular formula C18H14BrClFN3O3S and a molecular weight of 486.75 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID42889115
Molecular FormulaC18H14BrClFN3O3S
Molecular Weight486.75 g/mol
Exact Mass484.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H14BrClFN3O3S/c1-10(17(25)22-15-7-2-11(19)8-14(15)21)28-18-24-23-16(27-18)9-26-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyGPRBLGCCHMRPNJ-UHFFFAOYSA-N
XLogP5.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]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

2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 112785964
(2R)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7444473
N-(2-fluorophenyl)-3-methyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78858650
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7611624
N-(4-bromo-2-methylphenyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126160734
2-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 60558751
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 45355207
(2R)-N-(4-fluorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7612344
(2R)-2-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484411
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 40953714
N-(2,4-dichlorophenyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126161153

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 42889115) is N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is GPRBLGCCHMRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN3O3S/c1-10(17(25)22-15-7-2-11(19)8-14(15)21)28-18-24-23-16(27-18)9-26-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 486.75 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 42889115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).