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

C17H10N4O5 — CID 1104203

IUPAC5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5/c22-16(13-7-8-14(25-13)21(23)24)19-11-5-3-10(4-6-11)17-20-15-12(26-17)2-1-9-18-15/h1-9H,(H,19,22)
InChIKeyKPPHBMOZKRLTCW-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.64
Rot. Bonds4

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

5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 1104203) has the molecular formula C17H10N4O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID1104203
Molecular FormulaC17H10N4O5
Molecular Weight350.29 g/mol
Exact Mass350.07
IUPAC Name5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5/c22-16(13-7-8-14(25-13)21(23)24)19-11-5-3-10(4-6-11)17-20-15-12(26-17)2-1-9-18-15/h1-9H,(H,19,22)
InChIKeyKPPHBMOZKRLTCW-UHFFFAOYSA-N
XLogP3.64
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 1104203) is 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is KPPHBMOZKRLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O5/c22-16(13-7-8-14(25-13)21(23)24)19-11-5-3-10(4-6-11)17-20-15-12(26-17)2-1-9-18-15/h1-9H,(H,19,22).
What are the key properties of 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 350.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1104203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).