N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide

C21H21N3O4 — CID 35819755

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O4/c1-14-8-9-15(2)18(10-14)27-13-20(26)24-23-19(25)11-17-12-28-21(22-17)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHFLNFUFWHWBZQM-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.73
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide (PubChem CID 35819755) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
PubChem CID35819755
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O4/c1-14-8-9-15(2)18(10-14)27-13-20(26)24-23-19(25)11-17-12-28-21(22-17)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHFLNFUFWHWBZQM-UHFFFAOYSA-N
XLogP2.73
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.73
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-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55674879
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
CID 55405796
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46392793
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86865948
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide (CID 35819755) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide?
The InChIKey is HFLNFUFWHWBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-8-9-15(2)18(10-14)27-13-20(26)24-23-19(25)11-17-12-28-21(22-17)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide has a molecular weight of 379.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide is sourced from PubChem (CID 35819755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).