2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole

C15H21N3O2 — CID 154630496

IUPAC2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
SMILESCc1nc2ccc(OCCCN3CCNCC3)cc2o1
InChIInChI=1S/C15H21N3O2/c1-12-17-14-4-3-13(11-15(14)20-12)19-10-2-7-18-8-5-16-6-9-18/h3-4,11,16H,2,5-10H2,1H3
InChIKeyJPKADXXNRUOHCS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole

2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole (PubChem CID 154630496) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
PubChem CID154630496
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
SMILESCc1nc2ccc(OCCCN3CCNCC3)cc2o1
InChIInChI=1S/C15H21N3O2/c1-12-17-14-4-3-13(11-15(14)20-12)19-10-2-7-18-8-5-16-6-9-18/h3-4,11,16H,2,5-10H2,1H3
InChIKeyJPKADXXNRUOHCS-UHFFFAOYSA-N
XLogP1.81
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
3-(3-piperazin-1-ylpropoxy)xanthen-9-one
CID 52915988
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
3-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098348
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
CID 141103822
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-5-amine
CID 115230302
1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazine
CID 2195581
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
1-(3-phenoxypropyl)piperazine
CID 2760351
5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500375
6-(4-piperazin-1-ylbutoxy)-1H-indazole
CID 134443326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole (CID 154630496) is 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole is Cc1nc2ccc(OCCCN3CCNCC3)cc2o1.
What is the InChIKey of 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole?
The InChIKey is JPKADXXNRUOHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-17-14-4-3-13(11-15(14)20-12)19-10-2-7-18-8-5-16-6-9-18/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole?
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole has a molecular weight of 275.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole is sourced from PubChem (CID 154630496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).