N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide

C16H18ClN3O3 — CID 44724912

IUPACN-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESCC/C(C)=N\NC(=O)COc1cc(C)c(Cl)cc1-c1ccno1
InChIInChI=1S/C16H18ClN3O3/c1-4-11(3)19-20-16(21)9-22-15-7-10(2)13(17)8-12(15)14-5-6-18-23-14/h5-8H,4,9H2,1-3H3,(H,20,21)/b19-11-
InChIKeyFTTWNOPQMYWVTP-ODLFYWEKSA-N
MW335.79 g/mol
LogP3.58
Rot. Bonds6

About N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide

N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide (PubChem CID 44724912) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
PubChem CID44724912
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide
SMILESCC/C(C)=N\NC(=O)COc1cc(C)c(Cl)cc1-c1ccno1
InChIInChI=1S/C16H18ClN3O3/c1-4-11(3)19-20-16(21)9-22-15-7-10(2)13(17)8-12(15)14-5-6-18-23-14/h5-8H,4,9H2,1-3H3,(H,20,21)/b19-11-
InChIKeyFTTWNOPQMYWVTP-ODLFYWEKSA-N
XLogP3.58
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.58
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'}

Analyze N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44723021
2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide
CID 44723126
N-[(E)-(2-chloro-8-methylquinolin-3-yl)methylideneamino]-2-[4-fluoro-2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44723145
ethyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]butanoate
CID 4659321
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44722987
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]acetamide
CID 44722797
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
(3Z)-N-[(4-chlorophenyl)methyl]-3-[[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 6156343
2-(2,4-dichloro-5-methylphenoxy)-N-pyridin-4-ylacetamide
CID 134123433

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide (CID 44724912) is N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide is CC/C(C)=N\NC(=O)COc1cc(C)c(Cl)cc1-c1ccno1.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
The InChIKey is FTTWNOPQMYWVTP-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-4-11(3)19-20-16(21)9-22-15-7-10(2)13(17)8-12(15)14-5-6-18-23-14/h5-8H,4,9H2,1-3H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide?
N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide has a molecular weight of 335.79 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-2-[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 44724912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).