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

C15H11FN2O5 — CID 18123386

IUPACmethyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C15H11FN2O5/c1-21-14(19)12-10(6-7-22-12)8-18-15(20)23-13(17-18)9-2-4-11(16)5-3-9/h2-7H,8H2,1H3
InChIKeyZXVIWELHJPZRLW-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.07
Rot. Bonds4

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

methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate (PubChem CID 18123386) has the molecular formula C15H11FN2O5 and a molecular weight of 318.26 g/mol. Its IUPAC name is methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate
PubChem CID18123386
Molecular FormulaC15H11FN2O5
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Namemethyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C15H11FN2O5/c1-21-14(19)12-10(6-7-22-12)8-18-15(20)23-13(17-18)9-2-4-11(16)5-3-9/h2-7H,8H2,1H3
InChIKeyZXVIWELHJPZRLW-UHFFFAOYSA-N
XLogP2.07
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate 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 methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate (CID 18123386) is methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate?
The InChIKey is ZXVIWELHJPZRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O5/c1-21-14(19)12-10(6-7-22-12)8-18-15(20)23-13(17-18)9-2-4-11(16)5-3-9/h2-7H,8H2,1H3.
What are the key properties of methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate?
methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate has a molecular weight of 318.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 18123386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).