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

C15H21N3O — CID 82500389

IUPAC2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CC(C)N3CCNCC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11(18-7-5-16-6-8-18)9-13-3-4-14-15(10-13)19-12(2)17-14/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyVOXMIVYDQXJFQN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.97
Rot. Bonds3

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

2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole (PubChem CID 82500389) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole
PubChem CID82500389
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CC(C)N3CCNCC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11(18-7-5-16-6-8-18)9-13-3-4-14-15(10-13)19-12(2)17-14/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyVOXMIVYDQXJFQN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500379
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
5-[1-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500384
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
1-[1-(6-methyl-2-pyridinyl)propan-2-yl]piperazine
CID 83889116
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole (CID 82500389) is 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole is Cc1nc2ccc(CC(C)N3CCNCC3)cc2o1.
What is the InChIKey of 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole?
The InChIKey is VOXMIVYDQXJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(18-7-5-16-6-8-18)9-13-3-4-14-15(10-13)19-12(2)17-14/h3-4,10-11,16H,5-9H2,1-2H3.
What are the key properties of 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole?
2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole has a molecular weight of 259.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperazin-1-ylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 82500389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).