[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone

C19H16FN3O2 — CID 121092950

IUPAC[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H16FN3O2/c20-16-8-6-14(7-9-16)19(24)23-11-15(12-23)18-21-17(22-25-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2
InChIKeyLHSJBKALUPOBIE-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.04
Rot. Bonds4

About [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone

[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 121092950) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID121092950
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H16FN3O2/c20-16-8-6-14(7-9-16)19(24)23-11-15(12-23)18-21-17(22-25-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2
InChIKeyLHSJBKALUPOBIE-UHFFFAOYSA-N
XLogP3.04
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121093064
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 121093018
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121092943
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121092973
[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-phenylmethanone
CID 121097488
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121093224
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
CID 121093199
3-benzyl-5-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093274
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 121092985
[6-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345083
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979

Frequently Asked Questions

What is the IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone (CID 121092950) is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is LHSJBKALUPOBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-8-6-14(7-9-16)19(24)23-11-15(12-23)18-21-17(22-25-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2.
What are the key properties of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone?
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 337.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 121092950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).