[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate

C12H20N4O5 — CID 70525644

IUPAC[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)Oc1nonc1OC(=O)NC(C)CC
InChIInChI=1S/C12H20N4O5/c1-5-7(3)13-11(17)19-9-10(16-21-15-9)20-12(18)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyHAIIKZWEQJPCJR-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.84
Rot. Bonds6

About [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate

[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate (PubChem CID 70525644) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate.

Molecular Properties

Compound Name[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate
PubChem CID70525644
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)Oc1nonc1OC(=O)NC(C)CC
InChIInChI=1S/C12H20N4O5/c1-5-7(3)13-11(17)19-9-10(16-21-15-9)20-12(18)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyHAIIKZWEQJPCJR-UHFFFAOYSA-N
XLogP1.84
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate with MolForge

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Related Compounds

sulfanyl N-butan-2-ylcarbamate
CID 58226162
(4-carboxyoxy-1,2,5-oxadiazol-3-yl) ethyl carbonate
CID 70527253
[4-(3-amino-2-chloro-6-fluorophenyl)-1,2,5-thiadiazol-3-yl] N-butan-2-ylcarbamate
CID 67574297
N-butan-2-ylcarbamoyl iodide
CID 118554163
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate
CID 68712751
phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 126010648
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596

Frequently Asked Questions

What is the IUPAC name of [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate?
The IUPAC name of [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate (CID 70525644) is [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate.
What is the SMILES notation for [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate?
The canonical SMILES for [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate is CCC(C)NC(=O)Oc1nonc1OC(=O)NC(C)CC.
What is the InChIKey of [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate?
The InChIKey is HAIIKZWEQJPCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-5-7(3)13-11(17)19-9-10(16-21-15-9)20-12(18)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate?
[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate has a molecular weight of 300.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate is sourced from PubChem (CID 70525644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).