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

C23H31N3O3 — CID 3242083

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCC3CCCO3)CC2)c(C)o1
InChIInChI=1S/C23H31N3O3/c1-16-6-3-4-8-20(16)23-25-21(17(2)29-23)15-26-11-9-18(10-12-26)22(27)24-14-19-7-5-13-28-19/h3-4,6,8,18-19H,5,7,9-15H2,1-2H3,(H,24,27)
InChIKeyVJDQCOHHIVWHFY-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.47
Rot. Bonds6

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

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3242083) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3242083
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCC3CCCO3)CC2)c(C)o1
InChIInChI=1S/C23H31N3O3/c1-16-6-3-4-8-20(16)23-25-21(17(2)29-23)15-26-11-9-18(10-12-26)22(27)24-14-19-7-5-13-28-19/h3-4,6,8,18-19H,5,7,9-15H2,1-2H3,(H,24,27)
InChIKeyVJDQCOHHIVWHFY-UHFFFAOYSA-N
XLogP3.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.47
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-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 3242083) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCC3CCCO3)CC2)c(C)o1.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VJDQCOHHIVWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-6-3-4-8-20(16)23-25-21(17(2)29-23)15-26-11-9-18(10-12-26)22(27)24-14-19-7-5-13-28-19/h3-4,6,8,18-19H,5,7,9-15H2,1-2H3,(H,24,27).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.47, 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-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).