2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide

C18H19N3O2 — CID 9183197

IUPAC2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
SMILESCCN(NC(=O)Cc1noc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C18H19N3O2/c1-3-21(14-10-8-13(2)9-11-14)19-18(22)12-16-15-6-4-5-7-17(15)23-20-16/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyDQOLBYPSPSGGNU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.24
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide

2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide (PubChem CID 9183197) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
PubChem CID9183197
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
SMILESCCN(NC(=O)Cc1noc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C18H19N3O2/c1-3-21(14-10-8-13(2)9-11-14)19-18(22)12-16-15-6-4-5-7-17(15)23-20-16/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyDQOLBYPSPSGGNU-UHFFFAOYSA-N
XLogP3.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
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',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072
2-(1,2-benzoxazol-3-yl)-N-(1-chloro-2-methylbutan-2-yl)acetamide
CID 114303639
2-(1,2-benzoxazol-3-yl)-N-(2-cyanopropan-2-yl)acetamide
CID 61127889
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122356081

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide (CID 9183197) is 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide is CCN(NC(=O)Cc1noc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The InChIKey is DQOLBYPSPSGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-21(14-10-8-13(2)9-11-14)19-18(22)12-16-15-6-4-5-7-17(15)23-20-16/h4-11H,3,12H2,1-2H3,(H,19,22).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide has a molecular weight of 309.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide is sourced from PubChem (CID 9183197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).