2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide

C19H11ClFN3O2 — CID 134796280

IUPAC2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2nc(-c3cccnc3Cl)oc2c1
InChIInChI=1S/C19H11ClFN3O2/c20-17-14(2-1-9-22-17)19-24-15-8-3-11(10-16(15)26-19)18(25)23-13-6-4-12(21)5-7-13/h1-10H,(H,23,25)
InChIKeyZVOCTUXJKUSOKT-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.93
Rot. Bonds3

About 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide

2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 134796280) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID134796280
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC Name2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2nc(-c3cccnc3Cl)oc2c1
InChIInChI=1S/C19H11ClFN3O2/c20-17-14(2-1-9-22-17)19-24-15-8-3-11(10-16(15)26-19)18(25)23-13-6-4-12(21)5-7-13/h1-10H,(H,23,25)
InChIKeyZVOCTUXJKUSOKT-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide (CID 134796280) is 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3cccnc3Cl)oc2c1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is ZVOCTUXJKUSOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-17-14(2-1-9-22-17)19-24-15-8-3-11(10-16(15)26-19)18(25)23-13-6-4-12(21)5-7-13/h1-10H,(H,23,25).
What are the key properties of 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide?
2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-N-(4-fluorophenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).