4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

C15H13FN2O3S — CID 14677838

IUPAC4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2ccc(OCc3ccccc3F)cc2)NO1
InChIInChI=1S/C15H13FN2O3S/c16-14-4-2-1-3-12(14)10-20-13-7-5-11(6-8-13)9-15-17-21-22(19)18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyWFWDFPVYKHNZLK-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.46
Rot. Bonds5

About 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14677838) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14677838
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2ccc(OCc3ccccc3F)cc2)NO1
InChIInChI=1S/C15H13FN2O3S/c16-14-4-2-1-3-12(14)10-20-13-7-5-11(6-8-13)9-15-17-21-22(19)18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyWFWDFPVYKHNZLK-UHFFFAOYSA-N
XLogP2.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-phenylethoxy)phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14677831
4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14677839
4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 14699387
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
(Z)-2-(4-((4-fluorobenzyl)oxy)phenyl)-N'-hydroxyacetimidamide
CID 28176251
4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole
CID 57313019
4-[[3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 58875444
4-[[3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 69496285
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 74313065
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24705394
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24706774
2-[4-[(2,3-difluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 43658894

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14677838) is 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(Cc2ccc(OCc3ccccc3F)cc2)NO1.
What is the InChIKey of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is WFWDFPVYKHNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-14-4-2-1-3-12(14)10-20-13-7-5-11(6-8-13)9-15-17-21-22(19)18-15/h1-8H,9-10H2,(H,17,18).
What are the key properties of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 320.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14677838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).