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

C12H16N2O4 — CID 78919150

IUPACmethyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C12H16N2O4/c1-8-6-10(13-18-8)11(15)14-5-3-4-9(7-14)12(16)17-2/h6,9H,3-5,7H2,1-2H3
InChIKeyOCKFTQJQTRLKDS-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.01
Rot. Bonds2

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

methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919150) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919150
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C12H16N2O4/c1-8-6-10(13-18-8)11(15)14-5-3-4-9(7-14)12(16)17-2/h6,9H,3-5,7H2,1-2H3
InChIKeyOCKFTQJQTRLKDS-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95872642

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (CID 78919150) is methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is OCKFTQJQTRLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-6-10(13-18-8)11(15)14-5-3-4-9(7-14)12(16)17-2/h6,9H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).