5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid

C12H18N2O5 — CID 19018570

IUPAC5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
SMILESCc1cnc(C2CCCN(C)C2)o1.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2O.C2H2O4/c1-8-6-11-10(13-8)9-4-3-5-12(2)7-9;3-1(4)2(5)6/h6,9H,3-5,7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBMGSJVYQEYDVKJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.95
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid

5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid (PubChem CID 19018570) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
PubChem CID19018570
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
SMILESCc1cnc(C2CCCN(C)C2)o1.O=C(O)C(=O)O
InChIInChI=1S/C10H16N2O.C2H2O4/c1-8-6-11-10(13-8)9-4-3-5-12(2)7-9;3-1(4)2(5)6/h6,9H,3-5,7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBMGSJVYQEYDVKJ-UHFFFAOYSA-N
XLogP0.95
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-Azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-oxazole
CID 14685534
5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 19018558
2-(1-Azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid
CID 19887592
(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 67972032
4-[(5-Methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
CID 117822167
2-[(1-Boc-piperidin-4-yl)methyl]-5-methyloxazole
CID 131748456
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
CID 146380674
1,1-Dimethylethyl 4-[[2-(hydroxymethyl)-5-oxazolyl]methyl]-1-piperidinecarboxylate
CID 164601672
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 43440870
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136960
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137591
Methyl 1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxylate
CID 71989062

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid (CID 19018570) is 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid is Cc1cnc(C2CCCN(C)C2)o1.O=C(O)C(=O)O.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid?
The InChIKey is BMGSJVYQEYDVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H2O4/c1-8-6-11-10(13-8)9-4-3-5-12(2)7-9;3-1(4)2(5)6/h6,9H,3-5,7H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid?
5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid has a molecular weight of 270.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid is sourced from PubChem (CID 19018570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).