N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C25H30N4O3 — CID 24791099

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)c1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1
InChIInChI=1S/C25H30N4O3/c1-18(2)24-15-23(32-28-24)16-27-25(30)19-6-8-21(9-7-19)31-22-10-13-29(14-11-22)17-20-5-3-4-12-26-20/h3-9,12,15,18,22H,10-11,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyFIUCMSYXIOKVEK-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.17
Rot. Bonds8

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791099) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24791099
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCC(C)c1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1
InChIInChI=1S/C25H30N4O3/c1-18(2)24-15-23(32-28-24)16-27-25(30)19-6-8-21(9-7-19)31-22-10-13-29(14-11-22)17-20-5-3-4-12-26-20/h3-9,12,15,18,22H,10-11,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyFIUCMSYXIOKVEK-UHFFFAOYSA-N
XLogP4.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24791099) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CC(C)c1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FIUCMSYXIOKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)24-15-23(32-28-24)16-27-25(30)19-6-8-21(9-7-19)31-22-10-13-29(14-11-22)17-20-5-3-4-12-26-20/h3-9,12,15,18,22H,10-11,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).