N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide

C12H19N3O2 — CID 106627878

IUPACN,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCNC2)on1
InChIInChI=1S/C12H19N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyYZDAUKRWEQHTOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds3

About N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide

N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 106627878) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID106627878
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCNC2)on1
InChIInChI=1S/C12H19N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyYZDAUKRWEQHTOS-UHFFFAOYSA-N
XLogP1.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
N,3-dimethyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63641758
N,3-dimethyl-N-pyrrolidin-3-yl-1,2-oxazole-5-carboxamide
CID 63297787
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 154892252
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide (CID 106627878) is N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)CC2CCCNC2)on1.
What is the InChIKey of N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YZDAUKRWEQHTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h6,10,13H,3-5,7-8H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 106627878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).