2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

C19H20N4O2 — CID 70768716

IUPAC2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)C(C)C1
InChIInChI=1S/C19H20N4O2/c1-13-5-3-4-6-18(13)22-9-10-23(14(2)12-22)19(24)15-7-8-16-17(11-15)21-25-20-16/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyDBHHLCZSUIJRCV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.88
Rot. Bonds2

About 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone

2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 70768716) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID70768716
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)C(C)C1
InChIInChI=1S/C19H20N4O2/c1-13-5-3-4-6-18(13)22-9-10-23(14(2)12-22)19(24)15-7-8-16-17(11-15)21-25-20-16/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyDBHHLCZSUIJRCV-UHFFFAOYSA-N
XLogP2.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 70754475
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590
[(2S)-4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 98432461
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 86785861

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone (CID 70768716) is 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)C(C)C1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is DBHHLCZSUIJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-5-3-4-6-18(13)22-9-10-23(14(2)12-22)19(24)15-7-8-16-17(11-15)21-25-20-16/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone?
2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70768716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).