4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

C17H30N4O2 — CID 46976439

IUPAC4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1CN(C)C
InChIInChI=1S/C17H30N4O2/c1-13-14(11-20(4)5)15(19-23-13)16(22)18-12-17(2,3)21-9-7-6-8-10-21/h6-12H2,1-5H3,(H,18,22)
InChIKeyCWUVVAUPVBEEFK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.04
Rot. Bonds6

About 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 46976439) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID46976439
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1CN(C)C
InChIInChI=1S/C17H30N4O2/c1-13-14(11-20(4)5)15(19-23-13)16(22)18-12-17(2,3)21-9-7-6-8-10-21/h6-12H2,1-5H3,(H,18,22)
InChIKeyCWUVVAUPVBEEFK-UHFFFAOYSA-N
XLogP2.04
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 46976439) is 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CWUVVAUPVBEEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-14(11-20(4)5)15(19-23-13)16(22)18-12-17(2,3)21-9-7-6-8-10-21/h6-12H2,1-5H3,(H,18,22).
What are the key properties of 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46976439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).