2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide

C18H17N3O4 — CID 9320938

IUPAC2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H17N3O4/c1-12-6-2-4-8-15(12)24-11-18(23)20-19-17(22)10-14-13-7-3-5-9-16(13)25-21-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyIFXPMFDWWSFMET-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.91
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide

2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide (PubChem CID 9320938) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
PubChem CID9320938
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C18H17N3O4/c1-12-6-2-4-8-15(12)24-11-18(23)20-19-17(22)10-14-13-7-3-5-9-16(13)25-21-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyIFXPMFDWWSFMET-UHFFFAOYSA-N
XLogP1.91
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324369
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
CID 78816290
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(2-cyanopropan-2-yl)acetamide
CID 61127889

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide (CID 9320938) is 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide is Cc1ccccc1OCC(=O)NNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is IFXPMFDWWSFMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-6-2-4-8-15(12)24-11-18(23)20-19-17(22)10-14-13-7-3-5-9-16(13)25-21-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 339.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9320938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).