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

C20H20N2O5 — CID 53180433

IUPACN-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)oc2=O)cc1OC
InChIInChI=1S/C20H20N2O5/c1-13-4-6-14(7-5-13)18-11-22(20(24)27-18)12-19(23)21-15-8-9-16(25-2)17(10-15)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKCYSSKPORZRIBQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.07
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180433) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180433
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)oc2=O)cc1OC
InChIInChI=1S/C20H20N2O5/c1-13-4-6-14(7-5-13)18-11-22(20(24)27-18)12-19(23)21-15-8-9-16(25-2)17(10-15)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKCYSSKPORZRIBQ-UHFFFAOYSA-N
XLogP3.07
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180480
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956380
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119341
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-(3,4-dimethoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869384
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180433) is N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is COc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)oc2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is KCYSSKPORZRIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-4-6-14(7-5-13)18-11-22(20(24)27-18)12-19(23)21-15-8-9-16(25-2)17(10-15)26-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).