3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one

C14H13FN4O2S — CID 167888966

IUPAC3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1nc(CC2CC(F)C2)no1
InChIInChI=1S/C14H13FN4O2S/c15-9-3-8(4-9)5-11-17-12(21-18-11)6-19-7-16-13-10(14(19)20)1-2-22-13/h1-2,7-9H,3-6H2
InChIKeyGZNUOVFRRMHOAB-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.18
Rot. Bonds4

About 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one

3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 167888966) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID167888966
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1nc(CC2CC(F)C2)no1
InChIInChI=1S/C14H13FN4O2S/c15-9-3-8(4-9)5-11-17-12(21-18-11)6-19-7-16-13-10(14(19)20)1-2-22-13/h1-2,7-9H,3-6H2
InChIKeyGZNUOVFRRMHOAB-UHFFFAOYSA-N
XLogP2.18
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 167888966) is 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1nc(CC2CC(F)C2)no1.
What is the InChIKey of 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GZNUOVFRRMHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c15-9-3-8(4-9)5-11-17-12(21-18-11)6-19-7-16-13-10(14(19)20)1-2-22-13/h1-2,7-9H,3-6H2.
What are the key properties of 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-fluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167888966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).