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

C15H12FN3O5 — CID 31804849

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCc1cc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)on1
InChIInChI=1S/C15H12FN3O5/c1-9-6-12(24-18-9)8-22-13(20)7-19-15(21)23-14(17-19)10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3
InChIKeyNJKZGHKJDIMKQP-UHFFFAOYSA-N
MW333.28 g/mol
LogP1.68
Rot. Bonds5

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

(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (PubChem CID 31804849) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
PubChem CID31804849
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCc1cc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)on1
InChIInChI=1S/C15H12FN3O5/c1-9-6-12(24-18-9)8-22-13(20)7-19-15(21)23-14(17-19)10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3
InChIKeyNJKZGHKJDIMKQP-UHFFFAOYSA-N
XLogP1.68
TPSA100.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (CID 31804849) is (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is Cc1cc(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The InChIKey is NJKZGHKJDIMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c1-9-6-12(24-18-9)8-22-13(20)7-19-15(21)23-14(17-19)10-2-4-11(16)5-3-10/h2-6H,7-8H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate has a molecular weight of 333.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 31804849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).