(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate

C20H19NO3 — CID 8568214

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCc1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-20(2,16-11-7-4-8-12-16)19(22)23-14-17-13-18(24-21-17)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyNTTBZZCIHLTKGU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.36
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate (PubChem CID 8568214) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
PubChem CID8568214
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCc1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-20(2,16-11-7-4-8-12-16)19(22)23-14-17-13-18(24-21-17)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyNTTBZZCIHLTKGU-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate (CID 8568214) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCc1cc(-c2ccccc2)on1)c1ccccc1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate?
The InChIKey is NTTBZZCIHLTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-20(2,16-11-7-4-8-12-16)19(22)23-14-17-13-18(24-21-17)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate has a molecular weight of 321.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8568214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).