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

C20H20N2O3 — CID 110666377

IUPAC2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2nc(-c3ccccc3)c(C)o2)c1
InChIInChI=1S/C20H20N2O3/c1-14-7-6-10-17(11-14)24-13-18(23)21-12-19-22-20(15(2)25-19)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyCBPCFVPHVHKSTQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.65
Rot. Bonds6

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

2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 110666377) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID110666377
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2nc(-c3ccccc3)c(C)o2)c1
InChIInChI=1S/C20H20N2O3/c1-14-7-6-10-17(11-14)24-13-18(23)21-12-19-22-20(15(2)25-19)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyCBPCFVPHVHKSTQ-UHFFFAOYSA-N
XLogP3.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110714847
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 35767998
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
CID 110666422
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 84509149
3-(dimethylamino)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110666314
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide (CID 110666377) is 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3)c(C)o2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is CBPCFVPHVHKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-7-6-10-17(11-14)24-13-18(23)21-12-19-22-20(15(2)25-19)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110666377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).