tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate

C16H24N2O4 — CID 122156570

IUPACtert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCc1nc(C)c(C(=O)N2CCCCC2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H24N2O4/c1-10-13(21-11(2)17-10)14(19)18-9-7-6-8-12(18)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyVYPZOROJGBMGAM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate

tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 122156570) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID122156570
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
SMILESCc1nc(C)c(C(=O)N2CCCCC2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H24N2O4/c1-10-13(21-11(2)17-10)14(19)18-9-7-6-8-12(18)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyVYPZOROJGBMGAM-UHFFFAOYSA-N
XLogP2.63
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
tert-butyl (2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 80998731
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999348
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 81000153
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate (CID 122156570) is tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate is Cc1nc(C)c(C(=O)N2CCCCC2C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is VYPZOROJGBMGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10-13(21-11(2)17-10)14(19)18-9-7-6-8-12(18)15(20)22-16(3,4)5/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate?
tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 122156570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).