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

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Related Compounds

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 56823718
3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17448323
1-(5-tert-butyl-1,2,4-triazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 167917495
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 52870964
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
(2S)-1-[(2-chlorophenyl)methoxy]-3-[3-[(S)-methylsulfinyl]-1,2,4-triazol-1-yl]propan-2-ol
CID 97243358
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
CID 24654149
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 97327165
(5S)-5-butyl-3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972624

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).