N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide

C17H11N3O2S — CID 1141356

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccs1
InChIInChI=1S/C17H11N3O2S/c21-16(14-7-3-9-23-14)19-12-5-1-4-11(10-12)17-20-15-13(22-17)6-2-8-18-15/h1-10H,(H,19,21)
InChIKeyQPLFGOCRDONFJA-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.20
Rot. Bonds3

About N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 1141356) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID1141356
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccs1
InChIInChI=1S/C17H11N3O2S/c21-16(14-7-3-9-23-14)19-12-5-1-4-11(10-12)17-20-15-13(22-17)6-2-8-18-15/h1-10H,(H,19,21)
InChIKeyQPLFGOCRDONFJA-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide (CID 1141356) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccs1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QPLFGOCRDONFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16(14-7-3-9-23-14)19-12-5-1-4-11(10-12)17-20-15-13(22-17)6-2-8-18-15/h1-10H,(H,19,21).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1141356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).