2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C15H16ClN5O2 — CID 154570489

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(Cc1nc(-c3ccccc3Cl)no1)C2
InChIInChI=1S/C15H16ClN5O2/c1-20-14(22)17-7-15(20)8-21(9-15)6-12-18-13(19-23-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,17,22)
InChIKeyXYOYQLWGWWLOCA-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.60
Rot. Bonds3

About 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 154570489) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID154570489
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(Cc1nc(-c3ccccc3Cl)no1)C2
InChIInChI=1S/C15H16ClN5O2/c1-20-14(22)17-7-15(20)8-21(9-15)6-12-18-13(19-23-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,17,22)
InChIKeyXYOYQLWGWWLOCA-UHFFFAOYSA-N
XLogP1.60
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65462794
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62061668
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24521967
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24507460
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534625
3-(2-chlorophenyl)-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773367

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 154570489) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(Cc1nc(-c3ccccc3Cl)no1)C2.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is XYOYQLWGWWLOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-20-14(22)17-7-15(20)8-21(9-15)6-12-18-13(19-23-12)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,17,22).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 333.78 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 154570489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).