2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole

C24H28N2O2 — CID 54198123

IUPAC2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESC(=Cc1nc2ccccc2o1)c1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-4-16-26(17-5-1)18-6-7-19-27-21-13-10-20(11-14-21)12-15-24-25-22-8-2-3-9-23(22)28-24/h2-3,8-15H,1,4-7,16-19H2
InChIKeyPNHNDHOXQMCHAE-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.64
Rot. Bonds8

About 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole

2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 54198123) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole
PubChem CID54198123
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESC(=Cc1nc2ccccc2o1)c1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-4-16-26(17-5-1)18-6-7-19-27-21-13-10-20(11-14-21)12-15-24-25-22-8-2-3-9-23(22)28-24/h2-3,8-15H,1,4-7,16-19H2
InChIKeyPNHNDHOXQMCHAE-UHFFFAOYSA-N
XLogP5.64
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole
CID 18435657
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol
CID 164611458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole (CID 54198123) is 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole is C(=Cc1nc2ccccc2o1)c1ccc(OCCCCN2CCCCC2)cc1.
What is the InChIKey of 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole?
The InChIKey is PNHNDHOXQMCHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-16-26(17-5-1)18-6-7-19-27-21-13-10-20(11-14-21)12-15-24-25-22-8-2-3-9-23(22)28-24/h2-3,8-15H,1,4-7,16-19H2.
What are the key properties of 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole?
2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 376.50 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 54198123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).