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

C20H19ClN2O4 — CID 19443960

IUPAC4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1noc(C)c1COc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-12-7-8-18(25-3)17(9-12)22-20(24)19-16(13(2)27-23-19)11-26-15-6-4-5-14(21)10-15/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyIQVMXNURHBQQNA-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.78
Rot. Bonds6

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

4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443960) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443960
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1noc(C)c1COc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-12-7-8-18(25-3)17(9-12)22-20(24)19-16(13(2)27-23-19)11-26-15-6-4-5-14(21)10-15/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyIQVMXNURHBQQNA-UHFFFAOYSA-N
XLogP4.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
4-[(3-chlorophenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444167
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
CID 19443999
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19444042
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19443960) is 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1noc(C)c1COc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IQVMXNURHBQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12-7-8-18(25-3)17(9-12)22-20(24)19-16(13(2)27-23-19)11-26-15-6-4-5-14(21)10-15/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).