2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole

C14H19N3O — CID 116928063

IUPAC2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
SMILESCc1nc2ccc(CC3CNCCN3C)cc2o1
InChIInChI=1S/C14H19N3O/c1-10-16-13-4-3-11(8-14(13)18-10)7-12-9-15-5-6-17(12)2/h3-4,8,12,15H,5-7,9H2,1-2H3
InChIKeyNAGLLWQITPZGHW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole

2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole (PubChem CID 116928063) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
PubChem CID116928063
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
SMILESCc1nc2ccc(CC3CNCCN3C)cc2o1
InChIInChI=1S/C14H19N3O/c1-10-16-13-4-3-11(8-14(13)18-10)7-12-9-15-5-6-17(12)2/h3-4,8,12,15H,5-7,9H2,1-2H3
InChIKeyNAGLLWQITPZGHW-UHFFFAOYSA-N
XLogP1.58
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
CID 115238276
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500389
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole (CID 116928063) is 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole is Cc1nc2ccc(CC3CNCCN3C)cc2o1.
What is the InChIKey of 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole?
The InChIKey is NAGLLWQITPZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-16-13-4-3-11(8-14(13)18-10)7-12-9-15-5-6-17(12)2/h3-4,8,12,15H,5-7,9H2,1-2H3.
What are the key properties of 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole?
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole has a molecular weight of 245.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 116928063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).