2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole

C19H12ClF2N3O3S — CID 55357187

IUPAC2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)o2)cc1
InChIInChI=1S/C19H12ClF2N3O3S/c20-13-3-1-2-12(8-13)15-9-23-16(27-15)10-29-19-25-24-17(28-19)11-4-6-14(7-5-11)26-18(21)22/h1-9,18H,10H2
InChIKeyZIVORXMCIOIPQY-UHFFFAOYSA-N
MW435.84 g/mol
LogP5.94
Rot. Bonds7

About 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 55357187) has the molecular formula C19H12ClF2N3O3S and a molecular weight of 435.84 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID55357187
Molecular FormulaC19H12ClF2N3O3S
Molecular Weight435.84 g/mol
Exact Mass435.03
IUPAC Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)o2)cc1
InChIInChI=1S/C19H12ClF2N3O3S/c20-13-3-1-2-12(8-13)15-9-23-16(27-15)10-29-19-25-24-17(28-19)11-4-6-14(7-5-11)26-18(21)22/h1-9,18H,10H2
InChIKeyZIVORXMCIOIPQY-UHFFFAOYSA-N
XLogP5.94
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.84
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 78835041
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55368873
2-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7241917
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
2-[4-(difluoromethoxy)phenyl]-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 55631559
2-[4-(difluoromethoxy)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 78765758
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
2-(3,4-dimethoxyphenyl)-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 51573743
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112787109
4-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557932
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 55328227

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 55357187) is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)Oc1ccc(-c2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)o2)cc1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is ZIVORXMCIOIPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O3S/c20-13-3-1-2-12(8-13)15-9-23-16(27-15)10-29-19-25-24-17(28-19)11-4-6-14(7-5-11)26-18(21)22/h1-9,18H,10H2.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 435.84 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 55357187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).