N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C13H8ClN3O3 — CID 3559433

IUPACN-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H8ClN3O3/c14-12-8(3-1-5-15-12)16-13(18)9-7-11(20-17-9)10-4-2-6-19-10/h1-7H,(H,16,18)
InChIKeyLFUVCVMDYYYRST-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.24
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3559433) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID3559433
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H8ClN3O3/c14-12-8(3-1-5-15-12)16-13(18)9-7-11(20-17-9)10-4-2-6-19-10/h1-7H,(H,16,18)
InChIKeyLFUVCVMDYYYRST-UHFFFAOYSA-N
XLogP3.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 3559433) is N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LFUVCVMDYYYRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c14-12-8(3-1-5-15-12)16-13(18)9-7-11(20-17-9)10-4-2-6-19-10/h1-7H,(H,16,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 289.68 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3559433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).