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

C25H36N4O3 — CID 3237063

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C25H36N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,21H,5,8-18H2,1-2H3,(H,26,30)
InChIKeyBXYBGEAXGCDRSR-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.01
Rot. Bonds8

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

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 3237063) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID3237063
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C25H36N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,21H,5,8-18H2,1-2H3,(H,26,30)
InChIKeyBXYBGEAXGCDRSR-UHFFFAOYSA-N
XLogP3.01
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 3237063) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is BXYBGEAXGCDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,21H,5,8-18H2,1-2H3,(H,26,30).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3237063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).