4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine

C23H21FN4O2S — CID 166213968

IUPAC4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine
SMILESFc1cc(-c2noc(Cc3csc(Cc4ccccc4)n3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H21FN4O2S/c24-19-13-17(6-7-20(19)28-8-10-29-11-9-28)23-26-21(30-27-23)14-18-15-31-22(25-18)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12,14H2
InChIKeyWBTAOOCTQOFNHC-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.35
Rot. Bonds6

About 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine

4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine (PubChem CID 166213968) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine
PubChem CID166213968
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine
SMILESFc1cc(-c2noc(Cc3csc(Cc4ccccc4)n3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H21FN4O2S/c24-19-13-17(6-7-20(19)28-8-10-29-11-9-28)23-26-21(30-27-23)14-18-15-31-22(25-18)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12,14H2
InChIKeyWBTAOOCTQOFNHC-UHFFFAOYSA-N
XLogP4.35
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117445862
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55652012
2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55798401
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631714
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
5-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 90603738
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 55929308

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine?
The IUPAC name of 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine (CID 166213968) is 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine.
What is the SMILES notation for 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine?
The canonical SMILES for 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine is Fc1cc(-c2noc(Cc3csc(Cc4ccccc4)n3)n2)ccc1N1CCOCC1.
What is the InChIKey of 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine?
The InChIKey is WBTAOOCTQOFNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c24-19-13-17(6-7-20(19)28-8-10-29-11-9-28)23-26-21(30-27-23)14-18-15-31-22(25-18)12-16-4-2-1-3-5-16/h1-7,13,15H,8-12,14H2.
What are the key properties of 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine?
4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine has a molecular weight of 436.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(2-benzyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]morpholine is sourced from PubChem (CID 166213968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).