1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol

C23H31N5O3 — CID 86895121

IUPAC1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN(C)CC2CCN(CC(C)O)CC2)o1
InChIInChI=1S/C23H31N5O3/c1-16(29)13-28-11-9-18(10-12-28)14-27(3)15-20-24-25-23(30-20)21-17(2)31-26-22(21)19-7-5-4-6-8-19/h4-8,16,18,29H,9-15H2,1-3H3
InChIKeyMDYKXAZNWXEQTI-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.22
Rot. Bonds8

About 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 86895121) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID86895121
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CN(C)CC2CCN(CC(C)O)CC2)o1
InChIInChI=1S/C23H31N5O3/c1-16(29)13-28-11-9-18(10-12-28)14-27(3)15-20-24-25-23(30-20)21-17(2)31-26-22(21)19-7-5-4-6-8-19/h4-8,16,18,29H,9-15H2,1-3H3
InChIKeyMDYKXAZNWXEQTI-UHFFFAOYSA-N
XLogP3.22
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 86895121) is 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol is Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)CC2CCN(CC(C)O)CC2)o1.
What is the InChIKey of 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is MDYKXAZNWXEQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16(29)13-28-11-9-18(10-12-28)14-27(3)15-20-24-25-23(30-20)21-17(2)31-26-22(21)19-7-5-4-6-8-19/h4-8,16,18,29H,9-15H2,1-3H3.
What are the key properties of 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 425.53 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 86895121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).