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

C20H19ClN2O4 — CID 16879374

IUPACN-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-12-15(21)5-4-6-16(12)22-20(24)11-14-10-18(27-23-14)13-7-8-17(25-2)19(9-13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyYZJPULHWTVMBEO-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.50
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 16879374) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID16879374
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-12-15(21)5-4-6-16(12)22-20(24)11-14-10-18(27-23-14)13-7-8-17(25-2)19(9-13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyYZJPULHWTVMBEO-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16879363
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879203
N-(3-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878861
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16879407
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-[4-(trifluoromethoxy)phenyl]acetamide
CID 16879344
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 16879383

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide (CID 16879374) is N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide is COc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is YZJPULHWTVMBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12-15(21)5-4-6-16(12)22-20(24)11-14-10-18(27-23-14)13-7-8-17(25-2)19(9-13)26-3/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 386.84 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 16879374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).