3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

C19H19FN2O4 — CID 25484210

IUPAC3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1ccc(C)c(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C19H19FN2O4/c1-12-3-4-13(2)17(9-12)25-11-16(23)10-22-19(24)26-18(21-22)14-5-7-15(20)8-6-14/h3-9,16,23H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyLAOZGWZNXYTCLR-MRXNPFEDSA-N
MW358.37 g/mol
LogP2.70
Rot. Bonds6

About 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 25484210) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID25484210
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1ccc(C)c(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C19H19FN2O4/c1-12-3-4-13(2)17(9-12)25-11-16(23)10-22-19(24)26-18(21-22)14-5-7-15(20)8-6-14/h3-9,16,23H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyLAOZGWZNXYTCLR-MRXNPFEDSA-N
XLogP2.70
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one 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-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 25484210) is 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is Cc1ccc(C)c(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1.
What is the InChIKey of 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is LAOZGWZNXYTCLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-12-3-4-13(2)17(9-12)25-11-16(23)10-22-19(24)26-18(21-22)14-5-7-15(20)8-6-14/h3-9,16,23H,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 358.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 25484210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).