5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one

C15H9FN2O2S — CID 86785416

IUPAC5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1nc2cc(F)ccc2o1
InChIInChI=1S/C15H9FN2O2S/c16-9-1-2-12-11(7-9)17-14(20-12)8-18-5-3-13-10(15(18)19)4-6-21-13/h1-7H,8H2
InChIKeyYTJRLNJBPXXFPD-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.39
Rot. Bonds2

About 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one

5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 86785416) has the molecular formula C15H9FN2O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID86785416
Molecular FormulaC15H9FN2O2S
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Name5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1nc2cc(F)ccc2o1
InChIInChI=1S/C15H9FN2O2S/c16-9-1-2-12-11(7-9)17-14(20-12)8-18-5-3-13-10(15(18)19)4-6-21-13/h1-7H,8H2
InChIKeyYTJRLNJBPXXFPD-UHFFFAOYSA-N
XLogP3.39
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(6-amino-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115912009
5-[(4-amino-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115911994
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985821
5-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556954
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886597
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 75499870
5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886573
5-acetyl-1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 71969989
5-[(5-bromo-2-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985658
5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985492
3-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylic acid
CID 115912019

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 86785416) is 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1nc2cc(F)ccc2o1.
What is the InChIKey of 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is YTJRLNJBPXXFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S/c16-9-1-2-12-11(7-9)17-14(20-12)8-18-5-3-13-10(15(18)19)4-6-21-13/h1-7H,8H2.
What are the key properties of 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 300.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 86785416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).