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

C21H19N3O5 — CID 67046916

IUPACmethyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate
SMILESCOC(=O)COc1cc(N2C=C(c3ccccc3)OC2N)ccc1-c1cnco1
InChIInChI=1S/C21H19N3O5/c1-26-20(25)12-27-17-9-15(7-8-16(17)18-10-23-13-28-18)24-11-19(29-21(24)22)14-5-3-2-4-6-14/h2-11,13,21H,12,22H2,1H3
InChIKeyQOHOLOQHYUHFLP-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.97
Rot. Bonds6

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

methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate (PubChem CID 67046916) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate
PubChem CID67046916
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Namemethyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate
SMILESCOC(=O)COc1cc(N2C=C(c3ccccc3)OC2N)ccc1-c1cnco1
InChIInChI=1S/C21H19N3O5/c1-26-20(25)12-27-17-9-15(7-8-16(17)18-10-23-13-28-18)24-11-19(29-21(24)22)14-5-3-2-4-6-14/h2-11,13,21H,12,22H2,1H3
InChIKeyQOHOLOQHYUHFLP-UHFFFAOYSA-N
XLogP2.97
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate (CID 67046916) is methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate is COC(=O)COc1cc(N2C=C(c3ccccc3)OC2N)ccc1-c1cnco1.
What is the InChIKey of methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate?
The InChIKey is QOHOLOQHYUHFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-26-20(25)12-27-17-9-15(7-8-16(17)18-10-23-13-28-18)24-11-19(29-21(24)22)14-5-3-2-4-6-14/h2-11,13,21H,12,22H2,1H3.
What are the key properties of methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate?
methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate has a molecular weight of 393.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-amino-5-phenyl-2H-1,3-oxazol-3-yl)-2-(1,3-oxazol-5-yl)phenoxy]acetate is sourced from PubChem (CID 67046916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).