1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C26H38N4O2 — CID 66553041

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCCC3)CC2)c(C)o1
InChIInChI=1S/C26H38N4O2/c1-20-9-4-5-10-23(20)26-28-24(21(2)32-26)19-30-17-11-22(12-18-30)25(31)27-13-8-16-29-14-6-3-7-15-29/h4-5,9-10,22H,3,6-8,11-19H2,1-2H3,(H,27,31)
InChIKeyXJMAWQDZEGTQIX-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.16
Rot. Bonds8

About 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 66553041) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID66553041
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCCC3)CC2)c(C)o1
InChIInChI=1S/C26H38N4O2/c1-20-9-4-5-10-23(20)26-28-24(21(2)32-26)19-30-17-11-22(12-18-30)25(31)27-13-8-16-29-14-6-3-7-15-29/h4-5,9-10,22H,3,6-8,11-19H2,1-2H3,(H,27,31)
InChIKeyXJMAWQDZEGTQIX-UHFFFAOYSA-N
XLogP4.16
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 66553041) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCCC3)CC2)c(C)o1.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is XJMAWQDZEGTQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-20-9-4-5-10-23(20)26-28-24(21(2)32-26)19-30-17-11-22(12-18-30)25(31)27-13-8-16-29-14-6-3-7-15-29/h4-5,9-10,22H,3,6-8,11-19H2,1-2H3,(H,27,31).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 66553041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).