4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one

C8H14N2O2 — CID 130621270

IUPAC4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
SMILESCCn1c(CC(C)C)noc1=O
InChIInChI=1S/C8H14N2O2/c1-4-10-7(5-6(2)3)9-12-8(10)11/h6H,4-5H2,1-3H3
InChIKeyNAOYWBASYBZVNG-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.05
Rot. Bonds3

About 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one

4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one (PubChem CID 130621270) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
PubChem CID130621270
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
SMILESCCn1c(CC(C)C)noc1=O
InChIInChI=1S/C8H14N2O2/c1-4-10-7(5-6(2)3)9-12-8(10)11/h6H,4-5H2,1-3H3
InChIKeyNAOYWBASYBZVNG-UHFFFAOYSA-N
XLogP1.05
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-methyl-
CID 12317370
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-ethyl-
CID 12317371
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-propyl-
CID 12317372
1,2,4-Oxadiazol-5(4H)-one, 3-methyl-4-propyl-
CID 12317366
3,4-Di(propan-2-yl)-1,2,4-oxadiazol-5-one
CID 58578315
4-(2,2-Dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 59804106
4-Methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 70644219
3-Cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
CID 127013072
4-Methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 131157728
3-Butan-2-yl-4-methyl-1,2,4-oxadiazol-5-one
CID 155378122
1,2,4-Oxadiazol-5(4H)-one, 3,4-diethyl-
CID 12317363
1,2,4-Oxadiazol-5(4H)-one, 4-ethyl-3-propyl-
CID 12317364

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one (CID 130621270) is 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one is CCn1c(CC(C)C)noc1=O.
What is the InChIKey of 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
The InChIKey is NAOYWBASYBZVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-7(5-6(2)3)9-12-8(10)11/h6H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one?
4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 130621270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).