2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

C20H19ClN2O5 — CID 16867291

IUPAC2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1OC
InChIInChI=1S/C20H19ClN2O5/c1-25-17-8-3-13(9-19(17)26-2)18-10-15(23-28-18)11-22-20(24)12-27-16-6-4-14(21)5-7-16/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyLDODVDWFYGFHOC-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.71
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 16867291) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID16867291
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1OC
InChIInChI=1S/C20H19ClN2O5/c1-25-17-8-3-13(9-19(17)26-2)18-10-15(23-28-18)11-22-20(24)12-27-16-6-4-14(21)5-7-16/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyLDODVDWFYGFHOC-UHFFFAOYSA-N
XLogP3.71
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6485250
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 16867294
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 16867310
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
2-cyclopentyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867228
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16866668
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 16867314
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (CID 16867291) is 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is LDODVDWFYGFHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-25-17-8-3-13(9-19(17)26-2)18-10-15(23-28-18)11-22-20(24)12-27-16-6-4-14(21)5-7-16/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 402.83 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 16867291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).