2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C20H18ClN3O4 — CID 44723021

IUPAC2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)cc2-c2ccno2)cc1
InChIInChI=1S/C20H18ClN3O4/c1-13-9-19(16(10-17(13)21)18-7-8-23-28-18)27-12-20(25)24-22-11-14-3-5-15(26-2)6-4-14/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+
InChIKeyCKUFNBHDNZXMNA-SSDVNMTOSA-N
MW399.83 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 44723021) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID44723021
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)cc2-c2ccno2)cc1
InChIInChI=1S/C20H18ClN3O4/c1-13-9-19(16(10-17(13)21)18-7-8-23-28-18)27-12-20(25)24-22-11-14-3-5-15(26-2)6-4-14/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+
InChIKeyCKUFNBHDNZXMNA-SSDVNMTOSA-N
XLogP3.84
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44724912
N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44722987
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
2-(4-tert-butyl-2-methylphenoxy)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1105092
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 5441416
N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44723145
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3864997
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189755
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 44723021) is 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)cc2-c2ccno2)cc1.
What is the InChIKey of 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is CKUFNBHDNZXMNA-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-13-9-19(16(10-17(13)21)18-7-8-23-28-18)27-12-20(25)24-22-11-14-3-5-15(26-2)6-4-14/h3-11H,12H2,1-2H3,(H,24,25)/b22-11+.
What are the key properties of 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 399.83 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 44723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).