3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide

C12H19N3O2 — CID 113400462

IUPAC3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCCNC2)on1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(17-15-9)11(16)14-8-12(2)4-3-5-13-7-12/h6,13H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyPJTVVZARUDYFQP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.10
Rot. Bonds3

About 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 113400462) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID113400462
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCCNC2)on1
InChIInChI=1S/C12H19N3O2/c1-9-6-10(17-15-9)11(16)14-8-12(2)4-3-5-13-7-12/h6,13H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyPJTVVZARUDYFQP-UHFFFAOYSA-N
XLogP1.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 113400462) is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2(C)CCCNC2)on1.
What is the InChIKey of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PJTVVZARUDYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-10(17-15-9)11(16)14-8-12(2)4-3-5-13-7-12/h6,13H,3-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 113400462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).