5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one

C7H10N2O2 — CID 83150168

IUPAC5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(c1n[nH]c(=O)o1)C1CC1
InChIInChI=1S/C7H10N2O2/c1-4(5-2-3-5)6-8-9-7(10)11-6/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyRUFAYQCRVIKQHA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.88
Rot. Bonds2

About 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one

5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 83150168) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID83150168
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(c1n[nH]c(=O)o1)C1CC1
InChIInChI=1S/C7H10N2O2/c1-4(5-2-3-5)6-8-9-7(10)11-6/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyRUFAYQCRVIKQHA-UHFFFAOYSA-N
XLogP0.88
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one (CID 83150168) is 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one is CC(c1n[nH]c(=O)o1)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RUFAYQCRVIKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(5-2-3-5)6-8-9-7(10)11-6/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one?
5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 83150168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).