N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide

C17H15N5O2 — CID 58767195

IUPACN-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNc2ccc(-c3cnco3)cc2)cn1
InChIInChI=1S/C17H15N5O2/c1-12(23)21-17-7-2-13(8-19-17)9-20-22-15-5-3-14(4-6-15)16-10-18-11-24-16/h2-11,22H,1H3,(H,19,21,23)
InChIKeyMEHACAWDFGQTQB-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.14
Rot. Bonds5

About N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide

N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide (PubChem CID 58767195) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide
PubChem CID58767195
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNc2ccc(-c3cnco3)cc2)cn1
InChIInChI=1S/C17H15N5O2/c1-12(23)21-17-7-2-13(8-19-17)9-20-22-15-5-3-14(4-6-15)16-10-18-11-24-16/h2-11,22H,1H3,(H,19,21,23)
InChIKeyMEHACAWDFGQTQB-UHFFFAOYSA-N
XLogP3.14
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide (CID 58767195) is N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(C=NNc2ccc(-c3cnco3)cc2)cn1.
What is the InChIKey of N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide?
The InChIKey is MEHACAWDFGQTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-12(23)21-17-7-2-13(8-19-17)9-20-22-15-5-3-14(4-6-15)16-10-18-11-24-16/h2-11,22H,1H3,(H,19,21,23).
What are the key properties of N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide?
N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[4-(1,3-oxazol-5-yl)phenyl]hydrazinylidene]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 58767195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).