methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate

C21H21NO4 — CID 16640377

IUPACmethyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)C(C)c1onc(-c2ccc(OC)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)18-19(16-9-11-17(24-3)12-10-16)22-26-20(18)14(2)21(23)25-4/h5-12,14H,1-4H3
InChIKeyMHPMVYXHZDEVDJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.60
Rot. Bonds5

About methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate

methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate (PubChem CID 16640377) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
PubChem CID16640377
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namemethyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)C(C)c1onc(-c2ccc(OC)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)18-19(16-9-11-17(24-3)12-10-16)22-26-20(18)14(2)21(23)25-4/h5-12,14H,1-4H3
InChIKeyMHPMVYXHZDEVDJ-UHFFFAOYSA-N
XLogP4.60
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
CID 77105395
N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 155773356
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
CID 145389293
2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
CID 171990986
5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162798343
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate?
The IUPAC name of methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate (CID 16640377) is methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate is COC(=O)C(C)c1onc(-c2ccc(OC)cc2)c1-c1ccc(C)cc1.
What is the InChIKey of methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate?
The InChIKey is MHPMVYXHZDEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)18-19(16-9-11-17(24-3)12-10-16)22-26-20(18)14(2)21(23)25-4/h5-12,14H,1-4H3.
What are the key properties of methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate?
methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate has a molecular weight of 351.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate is sourced from PubChem (CID 16640377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).