2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole

C18H19N3O — CID 141201489

IUPAC2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole
SMILESCN1CCN(c2nc3ccccc3o2)C(c2ccccc2)C1
InChIInChI=1S/C18H19N3O/c1-20-11-12-21(16(13-20)14-7-3-2-4-8-14)18-19-15-9-5-6-10-17(15)22-18/h2-10,16H,11-13H2,1H3
InChIKeyBKCQUQOAAXSBCQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole

2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 141201489) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID141201489
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole
SMILESCN1CCN(c2nc3ccccc3o2)C(c2ccccc2)C1
InChIInChI=1S/C18H19N3O/c1-20-11-12-21(16(13-20)14-7-3-2-4-8-14)18-19-15-9-5-6-10-17(15)22-18/h2-10,16H,11-13H2,1H3
InChIKeyBKCQUQOAAXSBCQ-UHFFFAOYSA-N
XLogP3.32
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1,3-benzoxazol-2-yl)-3-methylpiperazin-1-yl]propanoic acid
CID 154780576
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-1,3-benzoxazole
CID 133324393
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
[4-(1,3-benzoxazol-2-yl)-2-phenylpiperazin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 118013367
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
CID 66466632

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole (CID 141201489) is 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole is CN1CCN(c2nc3ccccc3o2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is BKCQUQOAAXSBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20-11-12-21(16(13-20)14-7-3-2-4-8-14)18-19-15-9-5-6-10-17(15)22-18/h2-10,16H,11-13H2,1H3.
What are the key properties of 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole?
2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 293.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 141201489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).