[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

C21H18N2O6 — CID 2116593

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESCc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H18N2O6/c1-14-11-18(23-29-14)22-19(24)12-28-20(25)13-27-17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,24)
InChIKeyUCRXROCCNSXUCG-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.77
Rot. Bonds8

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (PubChem CID 2116593) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
PubChem CID2116593
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESCc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H18N2O6/c1-14-11-18(23-29-14)22-19(24)12-28-20(25)13-27-17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,24)
InChIKeyUCRXROCCNSXUCG-UHFFFAOYSA-N
XLogP2.77
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 652253
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CID 670263
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CID 670712
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CID 717559
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CID 843415
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CID 839420
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CID 2090794
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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (CID 2116593) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is Cc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is UCRXROCCNSXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c1-14-11-18(23-29-14)22-19(24)12-28-20(25)13-27-17-9-7-16(8-10-17)21(26)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,22,23,24).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 394.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 2116593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).