[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite

C13H12FN3O3S — CID 164839545

IUPAC[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
SMILESO=C(Nc1nnc(C2CCCO2)o1)c1ccc(SF)cc1
InChIInChI=1S/C13H12FN3O3S/c14-21-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h3-6,10H,1-2,7H2,(H,15,17,18)
InChIKeyYHHQKSPOLZIGTG-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.15
Rot. Bonds4

About [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite

[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite (PubChem CID 164839545) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
PubChem CID164839545
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
SMILESO=C(Nc1nnc(C2CCCO2)o1)c1ccc(SF)cc1
InChIInChI=1S/C13H12FN3O3S/c14-21-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h3-6,10H,1-2,7H2,(H,15,17,18)
InChIKeyYHHQKSPOLZIGTG-UHFFFAOYSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite with MolForge

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Related Compounds

[4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
CID 167541160
4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 61252319
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
N-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 71878112
4-fluoro-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836671
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
4-bromo-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836772
4-bromo-N-[5-[(3S)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898276
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
N-[(5-bromo-2-fluorophenyl)methyl]-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-amine
CID 99820637
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 52522772

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?
The IUPAC name of [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite (CID 164839545) is [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite.
What is the SMILES notation for [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?
The canonical SMILES for [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite is O=C(Nc1nnc(C2CCCO2)o1)c1ccc(SF)cc1.
What is the InChIKey of [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?
The InChIKey is YHHQKSPOLZIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-21-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h3-6,10H,1-2,7H2,(H,15,17,18).
What are the key properties of [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?
[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite has a molecular weight of 309.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite is sourced from PubChem (CID 164839545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).