methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate

C12H16N2O4 — CID 15682564

IUPACmethyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O4/c1-8-9(12(16)17-2)10(18-13-8)11(15)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyIYEZIYQAMJFDMO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.40
Rot. Bonds2

About methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate

methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate (PubChem CID 15682564) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate
PubChem CID15682564
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)N1CCCCC1
InChIInChI=1S/C12H16N2O4/c1-8-9(12(16)17-2)10(18-13-8)11(15)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyIYEZIYQAMJFDMO-UHFFFAOYSA-N
XLogP1.40
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-(chloromethyl)-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958479
Methyl 3-(chloromethyl)-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958552
Methyl 5-(butylcarbamoyl)-3-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 11958554
Methyl 3-(chloromethyl)-5-(prop-2-enylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958555
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2560801
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4557140
1-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione
CID 122400558
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(morpholin-4-yl)ethanone
CID 45794940
[1-(3,5-Dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 102556288
[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550506
Ethyl 4-(2-(3,5-dimethylisoxazol-4-yl)acetyl)piperazine-1-carboxylate
CID 49669590
7-{[4-(Methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56886359

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate (CID 15682564) is methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1C(=O)N1CCCCC1.
What is the InChIKey of methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate?
The InChIKey is IYEZIYQAMJFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-9(12(16)17-2)10(18-13-8)11(15)14-6-4-3-5-7-14/h3-7H2,1-2H3.
What are the key properties of methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate?
methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15682564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).