tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate

C8H13N3O4 — CID 139026733

IUPACtert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C8H13N3O4/c1-8(2,3)14-6(12)9-4-5-10-7(13)15-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyOAHZRMTZLIBFMK-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.39
Rot. Bonds2

About tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate

tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate (PubChem CID 139026733) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
PubChem CID139026733
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Nametert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C8H13N3O4/c1-8(2,3)14-6(12)9-4-5-10-7(13)15-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyOAHZRMTZLIBFMK-UHFFFAOYSA-N
XLogP0.39
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-methylsulfonyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 155937709
tert-butyl N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]sulfanyl]ethyl]carbamate
CID 137296288
tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 137280112
tert-butyl N-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methyl]carbamate
CID 129269697
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
CID 22308635
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
CID 84707922
tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 146135327
tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
CID 9079211
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate (CID 139026733) is tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The InChIKey is OAHZRMTZLIBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-8(2,3)14-6(12)9-4-5-10-7(13)15-11-5/h4H2,1-3H3,(H,9,12)(H,10,11,13).
What are the key properties of tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate?
tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate has a molecular weight of 215.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate is sourced from PubChem (CID 139026733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).