2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide

C20H22N2O3 — CID 135973075

IUPAC2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)22(2)20(24)13-18-12-19(21-25-18)16-8-10-17(23)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3
InChIKeyPCVTWRDIBYOUEF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide

2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 135973075) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID135973075
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)22(2)20(24)13-18-12-19(21-25-18)16-8-10-17(23)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3
InChIKeyPCVTWRDIBYOUEF-UHFFFAOYSA-N
XLogP3.49
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide (CID 135973075) is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is PCVTWRDIBYOUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)22(2)20(24)13-18-12-19(21-25-18)16-8-10-17(23)11-9-16/h3-11,14,18,23H,12-13H2,1-2H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 135973075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).