N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

C14H11N4O3- — CID 162746558

IUPACN-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1ccc2cnoc2c1)c1cc(N[O-])ccn1
InChIInChI=1S/C14H11N4O3/c1-9(19)18(14-6-11(17-20)4-5-15-14)12-3-2-10-8-16-21-13(10)7-12/h2-8H,1H3,(H-,15,17,20)/q-1
InChIKeyQSPJJQXSCLSKFT-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.82
Rot. Bonds3

About N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (PubChem CID 162746558) has the molecular formula C14H11N4O3- and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
PubChem CID162746558
Molecular FormulaC14H11N4O3-
Molecular Weight283.27 g/mol
Exact Mass283.08
IUPAC NameN-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1ccc2cnoc2c1)c1cc(N[O-])ccn1
InChIInChI=1S/C14H11N4O3/c1-9(19)18(14-6-11(17-20)4-5-15-14)12-3-2-10-8-16-21-13(10)7-12/h2-8H,1H3,(H-,15,17,20)/q-1
InChIKeyQSPJJQXSCLSKFT-UHFFFAOYSA-N
XLogP2.82
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The IUPAC name of N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (CID 162746558) is N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is CC(=O)N(c1ccc2cnoc2c1)c1cc(N[O-])ccn1.
What is the InChIKey of N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The InChIKey is QSPJJQXSCLSKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4O3/c1-9(19)18(14-6-11(17-20)4-5-15-14)12-3-2-10-8-16-21-13(10)7-12/h2-8H,1H3,(H-,15,17,20)/q-1.
What are the key properties of N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide has a molecular weight of 283.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 162746558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).