[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate

C10H16N4O4 — CID 174468074

IUPAC[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate
SMILESCNC(=O)c1nnc(CCC(C)(C)OC(N)=O)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,18-9(11)16)5-4-6-13-14-8(17-6)7(15)12-3/h4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeyDPGSGOXXWITUQC-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.24
Rot. Bonds5

About [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate

[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate (PubChem CID 174468074) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate
PubChem CID174468074
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate
SMILESCNC(=O)c1nnc(CCC(C)(C)OC(N)=O)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,18-9(11)16)5-4-6-13-14-8(17-6)7(15)12-3/h4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeyDPGSGOXXWITUQC-UHFFFAOYSA-N
XLogP0.24
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
methyl 5-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619032
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate
CID 58124423
ethyl 5-[2-(chloroamino)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 118374926
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
CID 174936365
methyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960722
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate (CID 174468074) is [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate is CNC(=O)c1nnc(CCC(C)(C)OC(N)=O)o1.
What is the InChIKey of [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate?
The InChIKey is DPGSGOXXWITUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,18-9(11)16)5-4-6-13-14-8(17-6)7(15)12-3/h4-5H2,1-3H3,(H2,11,16)(H,12,15).
What are the key properties of [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate?
[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate has a molecular weight of 256.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate is sourced from PubChem (CID 174468074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).