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

C22H23ClN2O3 — CID 19443999

IUPAC4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C)c1COc1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C22H23ClN2O3/c1-4-20(16-10-8-14(2)9-11-16)24-22(26)21-19(15(3)28-25-21)13-27-18-7-5-6-17(23)12-18/h5-12,20H,4,13H2,1-3H3,(H,24,26)
InChIKeyBBJLBSASEMRQHL-UHFFFAOYSA-N
MW398.89 g/mol
LogP5.40
Rot. Bonds7

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

4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443999) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID19443999
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C)c1COc1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C22H23ClN2O3/c1-4-20(16-10-8-14(2)9-11-16)24-22(26)21-19(15(3)28-25-21)13-27-18-7-5-6-17(23)12-18/h5-12,20H,4,13H2,1-3H3,(H,24,26)
InChIKeyBBJLBSASEMRQHL-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-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

5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
CID 19488286
N-[1-(1-adamantyl)propyl]-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444002
4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444180
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443960
4-[(3-chlorophenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444167
4-[(3-chlorophenoxy)methyl]-N-(2,3-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443980
N-(3-chloro-2-methylphenyl)-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443894
4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19444042
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide (CID 19443999) is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1noc(C)c1COc1cccc(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BBJLBSASEMRQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-4-20(16-10-8-14(2)9-11-16)24-22(26)21-19(15(3)28-25-21)13-27-18-7-5-6-17(23)12-18/h5-12,20H,4,13H2,1-3H3,(H,24,26).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).