N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide

C14H11N3O3 — CID 129283484

IUPACN-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1ncccc1-c1nc2cc(C(=O)NO)ccc2o1
InChIInChI=1S/C14H11N3O3/c1-8-10(3-2-6-15-8)14-16-11-7-9(13(18)17-19)4-5-12(11)20-14/h2-7,19H,1H3,(H,17,18)
InChIKeyZGMGQEOFFVNHBS-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.32
Rot. Bonds2

About N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 129283484) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
PubChem CID129283484
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1ncccc1-c1nc2cc(C(=O)NO)ccc2o1
InChIInChI=1S/C14H11N3O3/c1-8-10(3-2-6-15-8)14-16-11-7-9(13(18)17-19)4-5-12(11)20-14/h2-7,19H,1H3,(H,17,18)
InChIKeyZGMGQEOFFVNHBS-UHFFFAOYSA-N
XLogP2.32
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide (CID 129283484) is N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide is Cc1ncccc1-c1nc2cc(C(=O)NO)ccc2o1.
What is the InChIKey of N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is ZGMGQEOFFVNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-10(3-2-6-15-8)14-16-11-7-9(13(18)17-19)4-5-12(11)20-14/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 129283484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).