N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

C19H25N3O2 — CID 95200165

IUPACN-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(CN2CCC[C@H](CNC(=O)c3cnco3)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-5-6-16(8-15(14)2)11-22-7-3-4-17(12-22)9-21-19(23)18-10-20-13-24-18/h5-6,8,10,13,17H,3-4,7,9,11-12H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyLKLYQDDXLYBIIX-QGZVFWFLSA-N
MW327.43 g/mol
LogP2.93
Rot. Bonds5

About N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide

N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 95200165) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID95200165
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(CN2CCC[C@H](CNC(=O)c3cnco3)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-5-6-16(8-15(14)2)11-22-7-3-4-17(12-22)9-21-19(23)18-10-20-13-24-18/h5-6,8,10,13,17H,3-4,7,9,11-12H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyLKLYQDDXLYBIIX-QGZVFWFLSA-N
XLogP2.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 95200165) is N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1ccc(CN2CCC[C@H](CNC(=O)c3cnco3)C2)cc1C.
What is the InChIKey of N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is LKLYQDDXLYBIIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-6-16(8-15(14)2)11-22-7-3-4-17(12-22)9-21-19(23)18-10-20-13-24-18/h5-6,8,10,13,17H,3-4,7,9,11-12H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide?
N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95200165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).