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

C21H22N2O4 — CID 16867314

IUPACN-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3cccc(C)c3)no2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-14-5-4-6-15(9-14)10-21(24)22-13-17-12-19(27-23-17)16-7-8-18(25-2)20(11-16)26-3/h4-9,11-12H,10,13H2,1-3H3,(H,22,24)
InChIKeyTXWJAJPRODRFJB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.53
Rot. Bonds7

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

N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 16867314) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID16867314
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3cccc(C)c3)no2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-14-5-4-6-15(9-14)10-21(24)22-13-17-12-19(27-23-17)16-7-8-18(25-2)20(11-16)26-3/h4-9,11-12H,10,13H2,1-3H3,(H,22,24)
InChIKeyTXWJAJPRODRFJB-UHFFFAOYSA-N
XLogP3.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.53
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-[(3-methoxyphenyl)methyl]acetamide
CID 16879407
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 16867310
2-cyclopentyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867228
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16879363
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16867345

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide (CID 16867314) is N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide is COc1ccc(-c2cc(CNC(=O)Cc3cccc(C)c3)no2)cc1OC.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is TXWJAJPRODRFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-5-4-6-15(9-14)10-21(24)22-13-17-12-19(27-23-17)16-7-8-18(25-2)20(11-16)26-3/h4-9,11-12H,10,13H2,1-3H3,(H,22,24).
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 16867314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).