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

C20H19NO3 — CID 30136027

IUPAC(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H19NO3/c1-14-3-7-16(8-4-14)18-13-21-19(24-18)11-12-20(22)23-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyVHPVRBRCSRERRN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.50
Rot. Bonds5

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

(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 30136027) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID30136027
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H19NO3/c1-14-3-7-16(8-4-14)18-13-21-19(24-18)11-12-20(22)23-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3
InChIKeyVHPVRBRCSRERRN-UHFFFAOYSA-N
XLogP4.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 134011939
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579877
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18280129
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 34139985
[2-(N-methylanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579828
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18278082
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 30136027) is (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is VHPVRBRCSRERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-3-7-16(8-4-14)18-13-21-19(24-18)11-12-20(22)23-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3.
What are the key properties of (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 321.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 30136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).