tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate

C8H12N4O4 — CID 143009004

IUPACtert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nonc1C(N)=O
InChIInChI=1S/C8H12N4O4/c1-8(2,3)15-7(14)10-6-4(5(9)13)11-16-12-6/h1-3H3,(H2,9,13)(H,10,12,14)
InChIKeyJLEXLWKCTVORLI-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.52
Rot. Bonds2

About tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate

tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate (PubChem CID 143009004) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
PubChem CID143009004
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Nametert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nonc1C(N)=O
InChIInChI=1S/C8H12N4O4/c1-8(2,3)15-7(14)10-6-4(5(9)13)11-16-12-6/h1-3H3,(H2,9,13)(H,10,12,14)
InChIKeyJLEXLWKCTVORLI-UHFFFAOYSA-N
XLogP0.52
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
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ethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2H-triazole-4-carbonyl]amino]acetate
CID 139600010
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
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tert-butyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
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tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
CID 58895114
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
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tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
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5-methyl-1,2-oxazole-3,4-dicarboxamide
CID 1489841

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate (CID 143009004) is tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate is CC(C)(C)OC(=O)Nc1nonc1C(N)=O.
What is the InChIKey of tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate?
The InChIKey is JLEXLWKCTVORLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-8(2,3)15-7(14)10-6-4(5(9)13)11-16-12-6/h1-3H3,(H2,9,13)(H,10,12,14).
What are the key properties of tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate?
tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate has a molecular weight of 228.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate is sourced from PubChem (CID 143009004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).