ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate

C21H22N2O3 — CID 113330854

IUPACethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H22N2O3/c1-2-25-21(24)16-23(14-17-9-5-3-6-10-17)15-19-13-20(26-22-19)18-11-7-4-8-12-18/h3-13H,2,14-16H2,1H3
InChIKeyYFFFBNZTNXBSJH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.91
Rot. Bonds8

About ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate

ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate (PubChem CID 113330854) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate
PubChem CID113330854
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H22N2O3/c1-2-25-21(24)16-23(14-17-9-5-3-6-10-17)15-19-13-20(26-22-19)18-11-7-4-8-12-18/h3-13H,2,14-16H2,1H3
InChIKeyYFFFBNZTNXBSJH-UHFFFAOYSA-N
XLogP3.91
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate
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ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
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ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate (CID 113330854) is ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate?
The InChIKey is YFFFBNZTNXBSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-25-21(24)16-23(14-17-9-5-3-6-10-17)15-19-13-20(26-22-19)18-11-7-4-8-12-18/h3-13H,2,14-16H2,1H3.
What are the key properties of ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate?
ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate has a molecular weight of 350.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate is sourced from PubChem (CID 113330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).