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

C24H28N4O2 — CID 3237848

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)c(C)o1
InChIInChI=1S/C24H28N4O2/c1-17-7-3-4-10-21(17)24-27-22(18(2)30-24)16-28-12-6-9-20(15-28)23(29)26-14-19-8-5-11-25-13-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3,(H,26,29)
InChIKeyRUVUPPLRFZQTKR-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-3-carboxamide

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 3237848) 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-3-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID3237848
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-3-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)c(C)o1
InChIInChI=1S/C24H28N4O2/c1-17-7-3-4-10-21(17)24-27-22(18(2)30-24)16-28-12-6-9-20(15-28)23(29)26-14-19-8-5-11-25-13-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3,(H,26,29)
InChIKeyRUVUPPLRFZQTKR-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-3-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 3237848) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)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-3-carboxamide?
The InChIKey is RUVUPPLRFZQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-3-4-10-21(17)24-27-22(18(2)30-24)16-28-12-6-9-20(15-28)23(29)26-14-19-8-5-11-25-13-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3,(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-3-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 3237848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).