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

C15H13FN2O2S — CID 57313019

IUPAC4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole
SMILESFc1ccccc1COc1ccc(CC2=NOSN2)cc1
InChIInChI=1S/C15H13FN2O2S/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15-17-20-21-18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyGTMUALZFWLVNMK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.44
Rot. Bonds5

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

4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole (PubChem CID 57313019) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole.

Molecular Properties

Compound Name4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole
PubChem CID57313019
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole
SMILESFc1ccccc1COc1ccc(CC2=NOSN2)cc1
InChIInChI=1S/C15H13FN2O2S/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15-17-20-21-18-15/h1-8H,9-10H2,(H,17,18)
InChIKeyGTMUALZFWLVNMK-UHFFFAOYSA-N
XLogP3.44
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole?
The IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole (CID 57313019) is 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole.
What is the SMILES notation for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole?
The canonical SMILES for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole is Fc1ccccc1COc1ccc(CC2=NOSN2)cc1.
What is the InChIKey of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole?
The InChIKey is GTMUALZFWLVNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-14-4-2-1-3-12(14)10-19-13-7-5-11(6-8-13)9-15-17-20-21-18-15/h1-8H,9-10H2,(H,17,18).
What are the key properties of 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole?
4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole has a molecular weight of 304.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3H-1,2,3,5-oxathiadiazole is sourced from PubChem (CID 57313019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).