methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate

C15H22N2O5 — CID 67460578

IUPACmethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-16-11(9-21-12)13(18)20-4/h9-10H,5-8H2,1-4H3
InChIKeyXRIKEHPAKGMDJX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.58
Rot. Bonds2

About methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 67460578) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID67460578
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-16-11(9-21-12)13(18)20-4/h9-10H,5-8H2,1-4H3
InChIKeyXRIKEHPAKGMDJX-UHFFFAOYSA-N
XLogP2.58
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 170312323
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
2-[2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 170312328
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757
tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142520820
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid
CID 143320222
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (CID 67460578) is methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is XRIKEHPAKGMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-16-11(9-21-12)13(18)20-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 67460578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).