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

C17H11N3O3 — CID 960374

IUPACN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccco1
InChIInChI=1S/C17H11N3O3/c21-16(15-2-1-9-22-15)19-12-3-4-14-13(10-12)20-17(23-14)11-5-7-18-8-6-11/h1-10H,(H,19,21)
InChIKeyHNDQZDSKUFOCIZ-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.74
Rot. Bonds3

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

N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (PubChem CID 960374) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
PubChem CID960374
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccco1
InChIInChI=1S/C17H11N3O3/c21-16(15-2-1-9-22-15)19-12-3-4-14-13(10-12)20-17(23-14)11-5-7-18-8-6-11/h1-10H,(H,19,21)
InChIKeyHNDQZDSKUFOCIZ-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-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (CID 960374) is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccco1.
What is the InChIKey of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The InChIKey is HNDQZDSKUFOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16(15-2-1-9-22-15)19-12-3-4-14-13(10-12)20-17(23-14)11-5-7-18-8-6-11/h1-10H,(H,19,21).
What are the key properties of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)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-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 960374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).