N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H16Cl2N2O3 — CID 2288239

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-12-17(18(23-26-12)13-6-2-3-7-14(13)20)19(24)22-10-11-25-16-9-5-4-8-15(16)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyYQYHRPRFNJQZJI-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.77
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2288239) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2288239
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-12-17(18(23-26-12)13-6-2-3-7-14(13)20)19(24)22-10-11-25-16-9-5-4-8-15(16)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyYQYHRPRFNJQZJI-UHFFFAOYSA-N
XLogP4.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2288239) is N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YQYHRPRFNJQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-12-17(18(23-26-12)13-6-2-3-7-14(13)20)19(24)22-10-11-25-16-9-5-4-8-15(16)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2288239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).