2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

C24H27N5O2 — CID 29085903

IUPAC2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccncc1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-17-21-8-10-25-11-9-21)22-19-31-23(27-22)18-29-15-13-28(14-16-29)12-4-7-20-5-2-1-3-6-20/h1-11,19H,12-18H2,(H,26,30)/b7-4+
InChIKeyIXNWHDWRPSUJTI-QPJJXVBHSA-N
MW417.51 g/mol
LogP2.83
Rot. Bonds8

About 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 29085903) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID29085903
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccncc1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C24H27N5O2/c30-24(26-17-21-8-10-25-11-9-21)22-19-31-23(27-22)18-29-15-13-28(14-16-29)12-4-7-20-5-2-1-3-6-20/h1-11,19H,12-18H2,(H,26,30)/b7-4+
InChIKeyIXNWHDWRPSUJTI-QPJJXVBHSA-N
XLogP2.83
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 29085903) is 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1ccncc1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IXNWHDWRPSUJTI-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(26-17-21-8-10-25-11-9-21)22-19-31-23(27-22)18-29-15-13-28(14-16-29)12-4-7-20-5-2-1-3-6-20/h1-11,19H,12-18H2,(H,26,30)/b7-4+.
What are the key properties of 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 29085903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).