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

C17H11N3O3 — CID 696881

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccco1
InChIInChI=1S/C17H11N3O3/c21-16(14-7-3-9-22-14)19-12-5-1-4-11(10-12)17-20-15-13(23-17)6-2-8-18-15/h1-10H,(H,19,21)
InChIKeyDBXXNIKINXQFRO-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.74
Rot. Bonds3

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

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 696881) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID696881
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccco1
InChIInChI=1S/C17H11N3O3/c21-16(14-7-3-9-22-14)19-12-5-1-4-11(10-12)17-20-15-13(23-17)6-2-8-18-15/h1-10H,(H,19,21)
InChIKeyDBXXNIKINXQFRO-UHFFFAOYSA-N
XLogP3.74
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.74
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]furan-2-carboxamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 696881) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccco1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is DBXXNIKINXQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16(14-7-3-9-22-14)19-12-5-1-4-11(10-12)17-20-15-13(23-17)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]furan-2-carboxamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 3.74, 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]furan-2-carboxamide is sourced from PubChem (CID 696881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).