3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C16H10FN3O3S — CID 60561572

IUPAC3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(7-11)14-18-12(9-22-14)8-20-16(21)23-15(19-20)13-5-2-6-24-13/h1-7,9H,8H2
InChIKeyRBGYNIHOAZTSCE-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.41
Rot. Bonds4

About 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 60561572) has the molecular formula C16H10FN3O3S and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID60561572
Molecular FormulaC16H10FN3O3S
Molecular Weight343.34 g/mol
Exact Mass343.04
IUPAC Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(7-11)14-18-12(9-22-14)8-20-16(21)23-15(19-20)13-5-2-6-24-13/h1-7,9H,8H2
InChIKeyRBGYNIHOAZTSCE-UHFFFAOYSA-N
XLogP3.41
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 60561572) is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is RBGYNIHOAZTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3S/c17-11-4-1-3-10(7-11)14-18-12(9-22-14)8-20-16(21)23-15(19-20)13-5-2-6-24-13/h1-7,9H,8H2.
What are the key properties of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 343.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 60561572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).