[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone

C21H19N3O2 — CID 56764452

IUPAC[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C21H19N3O2/c25-21(17-10-6-15(7-11-17)14-4-2-1-3-5-14)24-12-18(13-24)20-22-19(23-26-20)16-8-9-16/h1-7,10-11,16,18H,8-9,12-13H2
InChIKeySLHXLNLSIYVQHR-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.85
Rot. Bonds4

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

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 56764452) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID56764452
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C21H19N3O2/c25-21(17-10-6-15(7-11-17)14-4-2-1-3-5-14)24-12-18(13-24)20-22-19(23-26-20)16-8-9-16/h1-7,10-11,16,18H,8-9,12-13H2
InChIKeySLHXLNLSIYVQHR-UHFFFAOYSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-difluorophenyl)methanone
CID 121092577
(3-bromophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121092573
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121092566
1,3-benzodioxol-5-yl-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 71837275
[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone
CID 91190972
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121095297
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 71783568
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
CID 121092950

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone (CID 56764452) is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CC(c2nc(C3CC3)no2)C1.
What is the InChIKey of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is SLHXLNLSIYVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(17-10-6-15(7-11-17)14-4-2-1-3-5-14)24-12-18(13-24)20-22-19(23-26-20)16-8-9-16/h1-7,10-11,16,18H,8-9,12-13H2.
What are the key properties of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone?
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 345.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 56764452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).