5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C14H17ClN4O — CID 104975780

IUPAC5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2noc(-c3ccccc3Cl)n2)CCN1
InChIInChI=1S/C14H17ClN4O/c1-10-8-19(7-6-16-10)9-13-17-14(20-18-13)11-4-2-3-5-12(11)15/h2-5,10,16H,6-9H2,1H3/t10-/m1/s1
InChIKeyCGPVYOCDTXTTAR-SNVBAGLBSA-N
MW292.77 g/mol
LogP2.18
Rot. Bonds3

About 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 104975780) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID104975780
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2noc(-c3ccccc3Cl)n2)CCN1
InChIInChI=1S/C14H17ClN4O/c1-10-8-19(7-6-16-10)9-13-17-14(20-18-13)11-4-2-3-5-12(11)15/h2-5,10,16H,6-9H2,1H3/t10-/m1/s1
InChIKeyCGPVYOCDTXTTAR-SNVBAGLBSA-N
XLogP2.18
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65450165
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
CID 115312991
1-[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 42879655
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312732
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
ethyl 2-[[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 42692153
3-chloro-2-[(3-methylpiperazin-1-yl)methyl]phenol
CID 114321095

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 104975780) is 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is C[C@@H]1CN(Cc2noc(-c3ccccc3Cl)n2)CCN1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CGPVYOCDTXTTAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-8-19(7-6-16-10)9-13-17-14(20-18-13)11-4-2-3-5-12(11)15/h2-5,10,16H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 104975780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).