N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide

C18H15N3O3 — CID 44722987

IUPACN-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-c1ccno1)N/N=C/c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-18(21-19-12-14-6-2-1-3-7-14)13-23-16-9-5-4-8-15(16)17-10-11-20-24-17/h1-12H,13H2,(H,21,22)/b19-12+
InChIKeyAYBDZYCUEFNQIN-XDHOZWIPSA-N
MW321.34 g/mol
LogP2.87
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide

N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide (PubChem CID 44722987) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
PubChem CID44722987
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-c1ccno1)N/N=C/c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-18(21-19-12-14-6-2-1-3-7-14)13-23-16-9-5-4-8-15(16)17-10-11-20-24-17/h1-12H,13H2,(H,21,22)/b19-12+
InChIKeyAYBDZYCUEFNQIN-XDHOZWIPSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44723021
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]acetamide
CID 44723070
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
CID 44722971
N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44723145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide (CID 44722987) is N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide is O=C(COc1ccccc1-c1ccno1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The InChIKey is AYBDZYCUEFNQIN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-18(21-19-12-14-6-2-1-3-7-14)13-23-16-9-5-4-8-15(16)17-10-11-20-24-17/h1-12H,13H2,(H,21,22)/b19-12+.
What are the key properties of N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide?
N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 44722987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).