2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine

C15H22N4O — CID 83949525

IUPAC2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
SMILESCN1CCN(Cc2ccc3oc(CCN)nc3c2)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)11-12-2-3-14-13(10-12)17-15(20-14)4-5-16/h2-3,10H,4-9,11,16H2,1H3
InChIKeyFPQJCOWSBYXUHG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.08
Rot. Bonds4

About 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine

2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine (PubChem CID 83949525) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
PubChem CID83949525
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
SMILESCN1CCN(Cc2ccc3oc(CCN)nc3c2)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)11-12-2-3-14-13(10-12)17-15(20-14)4-5-16/h2-3,10H,4-9,11,16H2,1H3
InChIKeyFPQJCOWSBYXUHG-UHFFFAOYSA-N
XLogP1.08
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
2-(3-fluorophenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 91682473
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79964992
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 8023046
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine (CID 83949525) is 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine is CN1CCN(Cc2ccc3oc(CCN)nc3c2)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine?
The InChIKey is FPQJCOWSBYXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)11-12-2-3-14-13(10-12)17-15(20-14)4-5-16/h2-3,10H,4-9,11,16H2,1H3.
What are the key properties of 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine?
2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine is sourced from PubChem (CID 83949525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).