2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole

C15H21N3O — CID 82500379

IUPAC2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
SMILESCCC(c1ccc2oc(C)nc2c1)N1CCNCC1
InChIInChI=1S/C15H21N3O/c1-3-14(18-8-6-16-7-9-18)12-4-5-15-13(10-12)17-11(2)19-15/h4-5,10,14,16H,3,6-9H2,1-2H3
InChIKeyFQUFYLZTHZCBEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole

2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole (PubChem CID 82500379) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
PubChem CID82500379
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
SMILESCCC(c1ccc2oc(C)nc2c1)N1CCNCC1
InChIInChI=1S/C15H21N3O/c1-3-14(18-8-6-16-7-9-18)12-4-5-15-13(10-12)17-11(2)19-15/h4-5,10,14,16H,3,6-9H2,1-2H3
InChIKeyFQUFYLZTHZCBEH-UHFFFAOYSA-N
XLogP2.49
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500384
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
CID 82497699
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole (CID 82500379) is 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole is CCC(c1ccc2oc(C)nc2c1)N1CCNCC1.
What is the InChIKey of 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole?
The InChIKey is FQUFYLZTHZCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-14(18-8-6-16-7-9-18)12-4-5-15-13(10-12)17-11(2)19-15/h4-5,10,14,16H,3,6-9H2,1-2H3.
What are the key properties of 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole?
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole has a molecular weight of 259.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 82500379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).