4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one

C15H10N2O2S — CID 71920684

IUPAC4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one
SMILESO=c1ccn(Cc2nc3ccccc3o2)c2ccsc12
InChIInChI=1S/C15H10N2O2S/c18-12-5-7-17(11-6-8-20-15(11)12)9-14-16-10-3-1-2-4-13(10)19-14/h1-8H,9H2
InChIKeyPNPFJTRWDLBKCF-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.25
Rot. Bonds2

About 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one

4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one (PubChem CID 71920684) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one
PubChem CID71920684
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one
SMILESO=c1ccn(Cc2nc3ccccc3o2)c2ccsc12
InChIInChI=1S/C15H10N2O2S/c18-12-5-7-17(11-6-8-20-15(11)12)9-14-16-10-3-1-2-4-13(10)19-14/h1-8H,9H2
InChIKeyPNPFJTRWDLBKCF-UHFFFAOYSA-N
XLogP3.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one (CID 71920684) is 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one is O=c1ccn(Cc2nc3ccccc3o2)c2ccsc12.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one?
The InChIKey is PNPFJTRWDLBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-12-5-7-17(11-6-8-20-15(11)12)9-14-16-10-3-1-2-4-13(10)19-14/h1-8H,9H2.
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one?
4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one has a molecular weight of 282.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 71920684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).