N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

C23H24N4O3S — CID 168579354

IUPACN-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)NCC1CCCO1
InChIInChI=1S/C23H24N4O3S/c28-22(24-14-20-7-4-12-29-20)15-30-19-10-8-17(9-11-19)13-25-27-23-26-21(16-31-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,16,20H,4,7,12,14-15H2,(H,24,28)(H,26,27)
InChIKeyBGBFPRIBUNRUOP-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.93
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168579354) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168579354
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)NCC1CCCO1
InChIInChI=1S/C23H24N4O3S/c28-22(24-14-20-7-4-12-29-20)15-30-19-10-8-17(9-11-19)13-25-27-23-26-21(16-31-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,16,20H,4,7,12,14-15H2,(H,24,28)(H,26,27)
InChIKeyBGBFPRIBUNRUOP-UHFFFAOYSA-N
XLogP3.93
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-tert-butyl-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578951
N'-[(Z)-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94832397
N'-[(Z)-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 94832476
N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 27191296
methyl 4-[2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethoxy]benzoate
CID 168577769
2-methyl-N-[(E)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]propanamide
CID 96842722
4-fluoro-N-[(E)-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]benzamide
CID 94833161
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94832447
N-(2-methylpropyl)-N'-[(E)-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]propanediamide
CID 94832154
N-cyclohexyl-N'-[(Z)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]oxamide
CID 94832321
N-(4-methoxyphenyl)-N'-[(Z)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]oxamide
CID 94832842
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (CID 168579354) is N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is O=C(COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is BGBFPRIBUNRUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-22(24-14-20-7-4-12-29-20)15-30-19-10-8-17(9-11-19)13-25-27-23-26-21(16-31-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,16,20H,4,7,12,14-15H2,(H,24,28)(H,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168579354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).