2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide

C19H19N3O4 — CID 9324369

IUPAC2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)25-12-19(24)21-20-18(23)11-16-15-5-3-4-6-17(15)26-22-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyKPNRGBXNDNFTDX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.16
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide

2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide (PubChem CID 9324369) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
PubChem CID9324369
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)25-12-19(24)21-20-18(23)11-16-15-5-3-4-6-17(15)26-22-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyKPNRGBXNDNFTDX-UHFFFAOYSA-N
XLogP2.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.16
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

N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
CID 78816290
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 9320938
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619644
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 51095203
2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984725
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide (CID 9324369) is 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide is CCc1ccc(OCC(=O)NNC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide?
The InChIKey is KPNRGBXNDNFTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)25-12-19(24)21-20-18(23)11-16-15-5-3-4-6-17(15)26-22-16/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide?
2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.16, 6 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-(4-ethylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).