N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

C25H25N3O3 — CID 9293605

IUPACN',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O3/c29-24(16-9-17-28-22-14-7-8-15-23(22)31-25(28)30)26-27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2,(H,26,29)
InChIKeyLCCVKBBUJLWPES-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.11
Rot. Bonds9

About N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (PubChem CID 9293605) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
PubChem CID9293605
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O3/c29-24(16-9-17-28-22-14-7-8-15-23(22)31-25(28)30)26-27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2,(H,26,29)
InChIKeyLCCVKBBUJLWPES-UHFFFAOYSA-N
XLogP4.11
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
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'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9389492
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55689930
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The IUPAC name of N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (CID 9293605) is N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.
What is the SMILES notation for N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The canonical SMILES for N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is O=C(CCCn1c(=O)oc2ccccc21)NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The InChIKey is LCCVKBBUJLWPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(16-9-17-28-22-14-7-8-15-23(22)31-25(28)30)26-27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-8,10-15H,9,16-19H2,(H,26,29).
What are the key properties of N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide has a molecular weight of 415.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is sourced from PubChem (CID 9293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).