(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate

C17H17N3O3 — CID 95586292

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate
SMILESCc1noc(C)c1COC(=O)[C@@H](c1ccccc1)n1cccn1
InChIInChI=1S/C17H17N3O3/c1-12-15(13(2)23-19-12)11-22-17(21)16(20-10-6-9-18-20)14-7-4-3-5-8-14/h3-10,16H,11H2,1-2H3/t16-/m1/s1
InChIKeySDIYQXIBRBEVJM-MRXNPFEDSA-N
MW311.34 g/mol
LogP2.82
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate (PubChem CID 95586292) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate
PubChem CID95586292
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate
SMILESCc1noc(C)c1COC(=O)[C@@H](c1ccccc1)n1cccn1
InChIInChI=1S/C17H17N3O3/c1-12-15(13(2)23-19-12)11-22-17(21)16(20-10-6-9-18-20)14-7-4-3-5-8-14/h3-10,16H,11H2,1-2H3/t16-/m1/s1
InChIKeySDIYQXIBRBEVJM-MRXNPFEDSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate
CID 8933462
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
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(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7870128
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 32924617
diethyl 2-[phenyl(pyrazol-1-yl)methyl]propanedioate
CID 12581035
(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide
CID 94817737
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2124287
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl (2S)-2-phenyl-2-pyrazol-1-ylacetate
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate (CID 95586292) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate is Cc1noc(C)c1COC(=O)[C@@H](c1ccccc1)n1cccn1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate?
The InChIKey is SDIYQXIBRBEVJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-15(13(2)23-19-12)11-22-17(21)16(20-10-6-9-18-20)14-7-4-3-5-8-14/h3-10,16H,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate has a molecular weight of 311.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate is sourced from PubChem (CID 95586292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).