5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one

C8H12N2O2 — CID 171541210

IUPAC5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC1(CCc2n[nH]c(=O)o2)CC1
InChIInChI=1S/C8H12N2O2/c1-8(4-5-8)3-2-6-9-10-7(11)12-6/h2-5H2,1H3,(H,10,11)
InChIKeyNUVUIADDTSZDEH-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.10
Rot. Bonds3

About 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one

5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 171541210) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID171541210
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC1(CCc2n[nH]c(=O)o2)CC1
InChIInChI=1S/C8H12N2O2/c1-8(4-5-8)3-2-6-9-10-7(11)12-6/h2-5H2,1H3,(H,10,11)
InChIKeyNUVUIADDTSZDEH-UHFFFAOYSA-N
XLogP1.10
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one (CID 171541210) is 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one is CC1(CCc2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is NUVUIADDTSZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(4-5-8)3-2-6-9-10-7(11)12-6/h2-5H2,1H3,(H,10,11).
What are the key properties of 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 168.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylcyclopropyl)ethyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 171541210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).