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

C15H21N5O4 — CID 136561349

IUPACtert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cocn3)no2)CC1
InChIInChI=1S/C15H21N5O4/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)8-12-17-13(18-24-12)11-9-22-10-16-11/h9-10H,4-8H2,1-3H3
InChIKeyXDXQRURFNJRNLK-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.78
Rot. Bonds3

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

tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate (PubChem CID 136561349) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
PubChem CID136561349
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Nametert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cocn3)no2)CC1
InChIInChI=1S/C15H21N5O4/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)8-12-17-13(18-24-12)11-9-22-10-16-11/h9-10H,4-8H2,1-3H3
InChIKeyXDXQRURFNJRNLK-UHFFFAOYSA-N
XLogP1.78
TPSA97.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxylate
CID 171130204
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 178131740
tert-butyl 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 24611546
tert-butyl (3R)-3-methyl-3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 99791968
tert-butyl 4-[[2-(hydroxymethyl)-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 138471901
tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
CID 122657592
tert-butyl 4-[(2,5-dimethyl-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 140551070
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate
CID 67972343
tert-butyl N-[4-oxo-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butyl]carbamate
CID 55523991
tert-butyl 4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate
CID 171701266

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate (CID 136561349) is tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cocn3)no2)CC1.
What is the InChIKey of tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate?
The InChIKey is XDXQRURFNJRNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-15(2,3)23-14(21)20-6-4-19(5-7-20)8-12-17-13(18-24-12)11-9-22-10-16-11/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 136561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).