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

C10H15N3O3 — CID 65142687

IUPACtert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(14)11-8-13-12-7(15-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyRYJNOTOATREXBX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.29
Rot. Bonds2

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

tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate (PubChem CID 65142687) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate
PubChem CID65142687
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(14)11-8-13-12-7(15-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyRYJNOTOATREXBX-UHFFFAOYSA-N
XLogP2.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate (CID 65142687) is tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate?
The InChIKey is RYJNOTOATREXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)16-9(14)11-8-13-12-7(15-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate?
tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate has a molecular weight of 225.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamate is sourced from PubChem (CID 65142687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).