N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide

C18H16N4O3 — CID 23961099

IUPACN-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H16N4O3/c1-13(23)20-18-17(21-25-22-18)19-11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,22,23)/b19-11+
InChIKeyOSXHGFVPOSOWDH-YBFXNURJSA-N
MW336.35 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 23961099) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID23961099
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H16N4O3/c1-13(23)20-18-17(21-25-22-18)19-11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,22,23)/b19-11+
InChIKeyOSXHGFVPOSOWDH-YBFXNURJSA-N
XLogP3.36
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]formamide
CID 6901375
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide (CID 23961099) is N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is OSXHGFVPOSOWDH-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-13(23)20-18-17(21-25-22-18)19-11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,22,23)/b19-11+.
What are the key properties of N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylmethoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 23961099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).