tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

C18H28N4O5 — CID 110624102

IUPACtert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C(C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C18H28N4O5/c1-11-10-14(21-27-11)20-15(23)12(2)19-16(24)13-6-8-22(9-7-13)17(25)26-18(3,4)5/h10,12-13H,6-9H2,1-5H3,(H,19,24)(H,20,21,23)
InChIKeyOESORAAZFZLNFL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 110624102) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID110624102
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCc1cc(NC(=O)C(C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C18H28N4O5/c1-11-10-14(21-27-11)20-15(23)12(2)19-16(24)13-6-8-22(9-7-13)17(25)26-18(3,4)5/h10,12-13H,6-9H2,1-5H3,(H,19,24)(H,20,21,23)
InChIKeyOESORAAZFZLNFL-UHFFFAOYSA-N
XLogP2.07
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 9470586
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485462
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 112507096
tert-butyl 3-[[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]methyl]azetidine-1-carboxylate
CID 97248950
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42948503
tert-butyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110624716
tert-butyl N-[(2S)-3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110677963
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate (CID 110624102) is tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate is Cc1cc(NC(=O)C(C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)no1.
What is the InChIKey of tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is OESORAAZFZLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-11-10-14(21-27-11)20-15(23)12(2)19-16(24)13-6-8-22(9-7-13)17(25)26-18(3,4)5/h10,12-13H,6-9H2,1-5H3,(H,19,24)(H,20,21,23).
What are the key properties of tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110624102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).