5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

C15H19N3O — CID 116682489

IUPAC5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(C(C)C2CNC2)n1
InChIInChI=1S/C15H19N3O/c1-10-5-3-4-6-12(10)7-14-17-15(19-18-14)11(2)13-8-16-9-13/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyCZFXVCWVUSLUDR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.29
Rot. Bonds4

About 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 116682489) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID116682489
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1noc(C(C)C2CNC2)n1
InChIInChI=1S/C15H19N3O/c1-10-5-3-4-6-12(10)7-14-17-15(19-18-14)11(2)13-8-16-9-13/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyCZFXVCWVUSLUDR-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 116682481
5-[1-(azetidin-3-yl)ethyl]-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 116682577
5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814662
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55201821
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 82471879
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62828439
5-[1-(azetidin-3-yl)ethyl]-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 116682532

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole (CID 116682489) is 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is Cc1ccccc1Cc1noc(C(C)C2CNC2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is CZFXVCWVUSLUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-3-4-6-12(10)7-14-17-15(19-18-14)11(2)13-8-16-9-13/h3-6,11,13,16H,7-9H2,1-2H3.
What are the key properties of 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 116682489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).