1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate

C16H24N2O5 — CID 172630737

IUPAC1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(c2cc(C)on2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O5/c1-11-10-12(17-23-11)16(13(19)21-5)6-8-18(9-7-16)14(20)22-15(2,3)4/h10H,6-9H2,1-5H3
InChIKeyWKPNDEBXOSEELK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.42
Rot. Bonds2

About 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate (PubChem CID 172630737) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
PubChem CID172630737
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(c2cc(C)on2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O5/c1-11-10-12(17-23-11)16(13(19)21-5)6-8-18(9-7-16)14(20)22-15(2,3)4/h10H,6-9H2,1-5H3
InChIKeyWKPNDEBXOSEELK-UHFFFAOYSA-N
XLogP2.42
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-tert-butyl 4-O-methyl 4-(2-methylsulfanylpyrimidin-4-yl)piperidine-1,4-dicarboxylate
CID 175375186
tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
1-O-tert-butyl 4-O-methyl 4-quinazolin-4-ylpiperidine-1,4-dicarboxylate
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1-O-tert-butyl 4-O-methyl 4-(7-fluoroquinazolin-4-yl)piperidine-1,4-dicarboxylate
CID 59551761
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate
CID 156502333
1-O-tert-butyl 4-O-ethyl 4-(6-bromo-2-pyridinyl)piperidine-1,4-dicarboxylate
CID 89285207
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 126421397
tert-butyl 6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520473
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate (CID 172630737) is 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate is COC(=O)C1(c2cc(C)on2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate?
The InChIKey is WKPNDEBXOSEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11-10-12(17-23-11)16(13(19)21-5)6-8-18(9-7-16)14(20)22-15(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 172630737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).