3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide

C22H24N4O2 — CID 121093224

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C22H24N4O2/c27-22(23-13-7-12-17-8-3-1-4-9-17)26-15-19(16-26)21-24-20(25-28-21)14-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27)
InChIKeyNATOSRUPBQHALT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.40
Rot. Bonds7

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide (PubChem CID 121093224) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
PubChem CID121093224
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C22H24N4O2/c27-22(23-13-7-12-17-8-3-1-4-9-17)26-15-19(16-26)21-24-20(25-28-21)14-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27)
InChIKeyNATOSRUPBQHALT-UHFFFAOYSA-N
XLogP3.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
CID 121093199
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
CID 121092950
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121093064
methyl 2-[[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]amino]acetate
CID 91911404
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 121092985
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121092973
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121092943
3-benzyl-5-[1-(pyridin-3-ylmethyl)azetidin-3-yl]-1,2,4-oxadiazole;oxalic acid
CID 71783714
3-benzyl-5-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121093274
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 121093018

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide (CID 121093224) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
The InChIKey is NATOSRUPBQHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(23-13-7-12-17-8-3-1-4-9-17)26-15-19(16-26)21-24-20(25-28-21)14-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27).
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 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)-N-(3-phenylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 121093224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).