2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide

C21H17N3O2 — CID 47009947

IUPAC2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
SMILESO=C(Cc1noc2ccccc12)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-21(15-19-18-13-7-8-14-20(18)26-23-19)22-24(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,25)
InChIKeyNPYXAYWMYABREJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.24
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide

2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide (PubChem CID 47009947) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
PubChem CID47009947
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
SMILESO=C(Cc1noc2ccccc12)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O2/c25-21(15-19-18-13-7-8-14-20(18)26-23-19)22-24(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,25)
InChIKeyNPYXAYWMYABREJ-UHFFFAOYSA-N
XLogP4.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.24
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'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 9183197
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 25122234
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
N-[1-(aminomethyl)cyclopentyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 63888178
(2S)-2-[[2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694728

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide (CID 47009947) is 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide is O=C(Cc1noc2ccccc12)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide?
The InChIKey is NPYXAYWMYABREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(15-19-18-13-7-8-14-20(18)26-23-19)22-24(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide?
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide has a molecular weight of 343.39 g/mol, XLogP of 4.24, 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',N'-diphenylacetohydrazide is sourced from PubChem (CID 47009947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).