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

C21H22N2O3 — CID 110671413

IUPAC2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2oc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-18(11-9-15)25-14-20(24)22-13-12-19-21(23-16(2)26-19)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyIHAGQEXAMWRFEQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.70
Rot. Bonds7

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

2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide (PubChem CID 110671413) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
PubChem CID110671413
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2oc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-8-10-18(11-9-15)25-14-20(24)22-13-12-19-21(23-16(2)26-19)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyIHAGQEXAMWRFEQ-UHFFFAOYSA-N
XLogP3.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
CID 84513228
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718805
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide (CID 110671413) is 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2oc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide?
The InChIKey is IHAGQEXAMWRFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-8-10-18(11-9-15)25-14-20(24)22-13-12-19-21(23-16(2)26-19)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 110671413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).