[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate

C15H13N3O4 — CID 29170255

IUPAC[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
SMILESCC(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C15H13N3O4/c1-9-13(14(18-22-9)11-6-4-3-5-7-11)15-17-16-12(21-15)8-20-10(2)19/h3-7H,8H2,1-2H3
InChIKeyLTSSFDUUSDXYBV-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.76
Rot. Bonds4

About [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate

[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate (PubChem CID 29170255) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
PubChem CID29170255
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
SMILESCC(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C15H13N3O4/c1-9-13(14(18-22-9)11-6-4-3-5-7-11)15-17-16-12(21-15)8-20-10(2)19/h3-7H,8H2,1-2H3
InChIKeyLTSSFDUUSDXYBV-UHFFFAOYSA-N
XLogP2.76
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate?
The IUPAC name of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate (CID 29170255) is [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate.
What is the SMILES notation for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate?
The canonical SMILES for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate is CC(=O)OCc1nnc(-c2c(-c3ccccc3)noc2C)o1.
What is the InChIKey of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate?
The InChIKey is LTSSFDUUSDXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-9-13(14(18-22-9)11-6-4-3-5-7-11)15-17-16-12(21-15)8-20-10(2)19/h3-7H,8H2,1-2H3.
What are the key properties of [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate?
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate has a molecular weight of 299.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate is sourced from PubChem (CID 29170255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).