N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine

C28H37N3O — CID 56658846

IUPACN-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C28H37N3O/c1-22(2)21-29-25(17-16-23-12-6-3-7-13-23)27-30-26(20-24-14-8-4-9-15-24)28(32-27)31-18-10-5-11-19-31/h3-4,6-9,12-15,22,25,29H,5,10-11,16-21H2,1-2H3
InChIKeyCJJCPPODYVROJQ-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.18
Rot. Bonds10

About N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine

N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine (PubChem CID 56658846) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine
PubChem CID56658846
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC NameN-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C28H37N3O/c1-22(2)21-29-25(17-16-23-12-6-3-7-13-23)27-30-26(20-24-14-8-4-9-15-24)28(32-27)31-18-10-5-11-19-31/h3-4,6-9,12-15,22,25,29H,5,10-11,16-21H2,1-2H3
InChIKeyCJJCPPODYVROJQ-UHFFFAOYSA-N
XLogP6.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine (CID 56658846) is N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine is CC(C)CNC(CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1.
What is the InChIKey of N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine?
The InChIKey is CJJCPPODYVROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-22(2)21-29-25(17-16-23-12-6-3-7-13-23)27-30-26(20-24-14-8-4-9-15-24)28(32-27)31-18-10-5-11-19-31/h3-4,6-9,12-15,22,25,29H,5,10-11,16-21H2,1-2H3.
What are the key properties of N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine?
N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine has a molecular weight of 431.62 g/mol, XLogP of 6.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-phenylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 56658846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).