tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate

C17H28N4O4 — CID 51128046

IUPACtert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate
SMILESCc1cc(NC(=O)CN2CCCCC2CNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H28N4O4/c1-12-9-14(20-25-12)19-15(22)11-21-8-6-5-7-13(21)10-18-16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,18,23)(H,19,20,22)
InChIKeyQMDAQFNSOBWWJU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.30
Rot. Bonds5

About tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate (PubChem CID 51128046) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate
PubChem CID51128046
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate
SMILESCc1cc(NC(=O)CN2CCCCC2CNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C17H28N4O4/c1-12-9-14(20-25-12)19-15(22)11-21-8-6-5-7-13(21)10-18-16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,18,23)(H,19,20,22)
InChIKeyQMDAQFNSOBWWJU-UHFFFAOYSA-N
XLogP2.30
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
tert-butyl N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 71632263
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 97174280
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 71632253
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate (CID 51128046) is tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate is Cc1cc(NC(=O)CN2CCCCC2CNC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is QMDAQFNSOBWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-12-9-14(20-25-12)19-15(22)11-21-8-6-5-7-13(21)10-18-16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,18,23)(H,19,20,22).
What are the key properties of tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 352.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 51128046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).