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

C18H14Cl2N2O3 — CID 19443404

IUPAC4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cccc(Cl)c2)c1COc1ccccc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-11-14(10-24-16-8-3-2-7-15(16)20)17(22-25-11)18(23)21-13-6-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,23)
InChIKeyRDEHLGYZSOIVII-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.12
Rot. Bonds5

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

4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443404) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443404
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cccc(Cl)c2)c1COc1ccccc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-11-14(10-24-16-8-3-2-7-15(16)20)17(22-25-11)18(23)21-13-6-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,23)
InChIKeyRDEHLGYZSOIVII-UHFFFAOYSA-N
XLogP5.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443353
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443431
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443427
4-[(2-chlorophenoxy)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443297
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-(2,4-dichlorophenyl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490378
4-[(2,3-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490451
N-(3-chloro-2-methylphenyl)-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443894
4-[(3-chlorophenoxy)methyl]-N-(2,3-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443980
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443446
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19443404) is 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cccc(Cl)c2)c1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RDEHLGYZSOIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-11-14(10-24-16-8-3-2-7-15(16)20)17(22-25-11)18(23)21-13-6-4-5-12(19)9-13/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).