3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

C18H16ClFN2O4 — CID 42942044

IUPAC3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C18H16ClFN2O4/c19-16-4-2-1-3-13(16)10-25-11-15(23)9-22-18(24)26-17(21-22)12-5-7-14(20)8-6-12/h1-8,15,23H,9-11H2
InChIKeyRKGMIZIOEFLZGU-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.87
Rot. Bonds7

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

3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 42942044) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID42942044
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C18H16ClFN2O4/c19-16-4-2-1-3-13(16)10-25-11-15(23)9-22-18(24)26-17(21-22)12-5-7-14(20)8-6-12/h1-8,15,23H,9-11H2
InChIKeyRKGMIZIOEFLZGU-UHFFFAOYSA-N
XLogP2.87
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(2-chlorophenyl)methoxy]-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-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 42942044) is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1CC(O)COCc1ccccc1Cl.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is RKGMIZIOEFLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c19-16-4-2-1-3-13(16)10-25-11-15(23)9-22-18(24)26-17(21-22)12-5-7-14(20)8-6-12/h1-8,15,23H,9-11H2.
What are the key properties of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 378.79 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 42942044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).