N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide

C18H12N4O3 — CID 129283091

IUPACN-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccnc4)nc3)oc2c1
InChIInChI=1S/C18H12N4O3/c23-17(22-24)11-3-6-15-16(8-11)25-18(21-15)13-4-5-14(20-10-13)12-2-1-7-19-9-12/h1-10,24H,(H,22,23)
InChIKeyDIBJDJFVAPFZLX-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.07
Rot. Bonds3

About N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide

N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 129283091) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide
PubChem CID129283091
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC NameN-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccnc4)nc3)oc2c1
InChIInChI=1S/C18H12N4O3/c23-17(22-24)11-3-6-15-16(8-11)25-18(21-15)13-4-5-14(20-10-13)12-2-1-7-19-9-12/h1-10,24H,(H,22,23)
InChIKeyDIBJDJFVAPFZLX-UHFFFAOYSA-N
XLogP3.07
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
A 33853
CID 133379
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]pentanamide
CID 665180
example 184 [WO2014186035]
CID 86280679
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione
CID 649463

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide (CID 129283091) is N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide is O=C(NO)c1ccc2nc(-c3ccc(-c4cccnc4)nc3)oc2c1.
What is the InChIKey of N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is DIBJDJFVAPFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-17(22-24)11-3-6-15-16(8-11)25-18(21-15)13-4-5-14(20-10-13)12-2-1-7-19-9-12/h1-10,24H,(H,22,23).
What are the key properties of N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide?
N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 129283091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).