2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine

C14H20N4O — CID 115230297

IUPAC2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCCN3CCNCC3)cc2o1
InChIInChI=1S/C14H20N4O/c1-11-17-13-3-2-12(10-14(13)19-11)16-6-9-18-7-4-15-5-8-18/h2-3,10,15-16H,4-9H2,1H3
InChIKeyHCGOTUDTUYIZTE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine

2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine (PubChem CID 115230297) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
PubChem CID115230297
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCCN3CCNCC3)cc2o1
InChIInChI=1S/C14H20N4O/c1-11-17-13-3-2-12(10-14(13)19-11)16-6-9-18-7-4-15-5-8-18/h2-3,10,15-16H,4-9H2,1H3
InChIKeyHCGOTUDTUYIZTE-UHFFFAOYSA-N
XLogP1.45
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-5-amine
CID 115230302
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 115229812
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
CID 115238276
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 141071111
2-(2-piperazin-1-ylethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690841
2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 141071106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine (CID 115230297) is 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine is Cc1nc2ccc(NCCN3CCNCC3)cc2o1.
What is the InChIKey of 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is HCGOTUDTUYIZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-17-13-3-2-12(10-14(13)19-11)16-6-9-18-7-4-15-5-8-18/h2-3,10,15-16H,4-9H2,1H3.
What are the key properties of 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine?
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 260.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115230297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).