tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate

C8H13N3O3 — CID 45091906

IUPACtert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1nnco1
InChIInChI=1S/C8H13N3O3/c1-8(2,3)14-7(12)9-4-6-11-10-5-13-6/h5H,4H2,1-3H3,(H,9,12)
InChIKeyJDIYWHCPRORNMQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.09
Rot. Bonds2

About tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate

tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate (PubChem CID 45091906) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate
PubChem CID45091906
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nametert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1nnco1
InChIInChI=1S/C8H13N3O3/c1-8(2,3)14-7(12)9-4-6-11-10-5-13-6/h5H,4H2,1-3H3,(H,9,12)
InChIKeyJDIYWHCPRORNMQ-UHFFFAOYSA-N
XLogP1.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate (CID 45091906) is tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1nnco1.
What is the InChIKey of tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate?
The InChIKey is JDIYWHCPRORNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-8(2,3)14-7(12)9-4-6-11-10-5-13-6/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate?
tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate has a molecular weight of 199.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate is sourced from PubChem (CID 45091906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).