(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate

C20H19NO3 — CID 2436430

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate
SMILESCc1noc(C)c1COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-14-18(15(2)24-21-14)13-23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3
InChIKeyJLJNDDLQIIFHSQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate (PubChem CID 2436430) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate
PubChem CID2436430
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate
SMILESCc1noc(C)c1COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-14-18(15(2)24-21-14)13-23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3
InChIKeyJLJNDDLQIIFHSQ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate (CID 2436430) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate is Cc1noc(C)c1COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate?
The InChIKey is JLJNDDLQIIFHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-18(15(2)24-21-14)13-23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate has a molecular weight of 321.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,2-diphenylacetate is sourced from PubChem (CID 2436430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).