2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

C18H12FN3O2S — CID 46693046

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2cnc(SCc3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C18H12FN3O2S/c19-14-8-6-12(7-9-14)15-10-20-18(23-15)25-11-16-21-22-17(24-16)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyLXGFCZTVFUALGF-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.82
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46693046) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46693046
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-c2cnc(SCc3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C18H12FN3O2S/c19-14-8-6-12(7-9-14)15-10-20-18(23-15)25-11-16-21-22-17(24-16)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyLXGFCZTVFUALGF-UHFFFAOYSA-N
XLogP4.82
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301756
6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]pyridin-2-amine
CID 99833921
2-phenyl-5-(2H-triazol-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 86778427
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 51318385
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 8707965
2-(3,4-dimethoxyphenyl)-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 51573743
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 104590388
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
CID 62001067

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 46693046) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(-c2cnc(SCc3nnc(-c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LXGFCZTVFUALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-14-8-6-12(7-9-14)15-10-20-18(23-15)25-11-16-21-22-17(24-16)13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 353.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46693046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).