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

C15H19ClN4O — CID 65462794

IUPAC3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)CNCCN1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H19ClN4O/c1-15(2)10-17-7-8-20(15)9-13-18-14(19-21-13)11-5-3-4-6-12(11)16/h3-6,17H,7-10H2,1-2H3
InChIKeyWVRWBOXMURQKTO-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.57
Rot. Bonds3

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

3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 65462794) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID65462794
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)CNCCN1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H19ClN4O/c1-15(2)10-17-7-8-20(15)9-13-18-14(19-21-13)11-5-3-4-6-12(11)16/h3-6,17H,7-10H2,1-2H3
InChIKeyWVRWBOXMURQKTO-UHFFFAOYSA-N
XLogP2.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65462979
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154570489
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 106864175
[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
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2,2-dimethyl-1-[(4-phenylphenyl)methyl]piperazine
CID 65462302

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 65462794) is 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1(C)CNCCN1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WVRWBOXMURQKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(2)10-17-7-8-20(15)9-13-18-14(19-21-13)11-5-3-4-6-12(11)16/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.80 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 65462794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).