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

C24H28N4O2 — CID 3244199

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C24H28N4O2/c1-17-6-3-4-8-21(17)24-27-22(18(2)30-24)16-28-12-9-20(10-13-28)23(29)26-15-19-7-5-11-25-14-19/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeyZZFWKQIIXGUOMU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.88
Rot. Bonds6

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

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3244199) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3244199
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C24H28N4O2/c1-17-6-3-4-8-21(17)24-27-22(18(2)30-24)16-28-12-9-20(10-13-28)23(29)26-15-19-7-5-11-25-14-19/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeyZZFWKQIIXGUOMU-UHFFFAOYSA-N
XLogP3.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3244199) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3cccnc3)CC2)c(C)o1.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZZFWKQIIXGUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-6-3-4-8-21(17)24-27-22(18(2)30-24)16-28-12-9-20(10-13-28)23(29)26-15-19-7-5-11-25-14-19/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.88, 6 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3244199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).