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

C18H17N3O3 — CID 78816290

IUPACN'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)18(23)20-19-17(22)11-15-14-5-3-4-6-16(14)24-21-15/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyUMGCUYKSLPDQJH-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.39
Rot. Bonds4

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

N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide (PubChem CID 78816290) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
PubChem CID78816290
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)18(23)20-19-17(22)11-15-14-5-3-4-6-16(14)24-21-15/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyUMGCUYKSLPDQJH-UHFFFAOYSA-N
XLogP2.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 33168189
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984725
2-(1,2-benzoxazol-3-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 9320938
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619644
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
[4-(phenylcarbamoyl)phenyl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985206
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide (CID 78816290) is N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide?
The InChIKey is UMGCUYKSLPDQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)18(23)20-19-17(22)11-15-14-5-3-4-6-16(14)24-21-15/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide?
N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide has a molecular weight of 323.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,2-benzoxazol-3-yl)acetyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 78816290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).