tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate

C17H28N4O4 — CID 108812481

IUPACtert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C17H28N4O4/c1-16(2,3)12-11-13(19-25-12)18-14(22)20-7-9-21(10-8-20)15(23)24-17(4,5)6/h11H,7-10H2,1-6H3,(H,18,19,22)
InChIKeyOPILAGOZUWUVAC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 108812481) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID108812481
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C17H28N4O4/c1-16(2,3)12-11-13(19-25-12)18-14(22)20-7-9-21(10-8-20)15(23)24-17(4,5)6/h11H,7-10H2,1-6H3,(H,18,19,22)
InChIKeyOPILAGOZUWUVAC-UHFFFAOYSA-N
XLogP3.06
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
1-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-N-(oxan-4-yl)-1,4-diazepane-1,4-dicarboxamide
CID 54583927
5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[2-(4,4-difluoropiperidin-1-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 171932532
tert-butyl 4-[(3,5-dichlorophenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 2815818
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102
tert-butyl 4-[[2-[5-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-1-benzofuran-2-carbonyl]-5-methyl-1H-indol-4-yl]methyl]piperazine-1-carboxylate
CID 171812323
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 162643286
tert-butyl 4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47041677

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate (CID 108812481) is tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is OPILAGOZUWUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-16(2,3)12-11-13(19-25-12)18-14(22)20-7-9-21(10-8-20)15(23)24-17(4,5)6/h11H,7-10H2,1-6H3,(H,18,19,22).
What are the key properties of tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108812481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).