5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

C17H10N4O5 — CID 2866290

IUPAC5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5/c22-16(14-3-4-15(25-14)21(23)24)19-11-1-2-13-12(9-11)20-17(26-13)10-5-7-18-8-6-10/h1-9H,(H,19,22)
InChIKeyKCSCYIVJVSRGFZ-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.64
Rot. Bonds4

About 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (PubChem CID 2866290) has the molecular formula C17H10N4O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
PubChem CID2866290
Molecular FormulaC17H10N4O5
Molecular Weight350.29 g/mol
Exact Mass350.07
IUPAC Name5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H10N4O5/c22-16(14-3-4-15(25-14)21(23)24)19-11-1-2-13-12(9-11)20-17(26-13)10-5-7-18-8-6-10/h1-9H,(H,19,22)
InChIKeyKCSCYIVJVSRGFZ-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-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (CID 2866290) is 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The InChIKey is KCSCYIVJVSRGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O5/c22-16(14-3-4-15(25-14)21(23)24)19-11-1-2-13-12(9-11)20-17(26-13)10-5-7-18-8-6-10/h1-9H,(H,19,22).
What are the key properties of 5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
5-nitro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)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-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 2866290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).