5-propyl-3H-1,3,4-oxadiazol-2-one

C5H8N2O2 — CID 19876357

IUPAC5-propyl-3H-1,3,4-oxadiazol-2-one
SMILESCCCc1n[nH]c(=O)o1
InChIInChI=1S/C5H8N2O2/c1-2-3-4-6-7-5(8)9-4/h2-3H2,1H3,(H,7,8)
InChIKeyVNOBKMZJKWBFLD-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.32
Rot. Bonds2

About 5-propyl-3H-1,3,4-oxadiazol-2-one

5-propyl-3H-1,3,4-oxadiazol-2-one (PubChem CID 19876357) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-propyl-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-propyl-3H-1,3,4-oxadiazol-2-one
PubChem CID19876357
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-propyl-3H-1,3,4-oxadiazol-2-one
SMILESCCCc1n[nH]c(=O)o1
InChIInChI=1S/C5H8N2O2/c1-2-3-4-6-7-5(8)9-4/h2-3H2,1H3,(H,7,8)
InChIKeyVNOBKMZJKWBFLD-UHFFFAOYSA-N
XLogP0.32
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-propyl-3H-1,3,4-oxadiazol-2-one (CID 19876357) is 5-propyl-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-propyl-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-propyl-3H-1,3,4-oxadiazol-2-one is CCCc1n[nH]c(=O)o1.
What is the InChIKey of 5-propyl-3H-1,3,4-oxadiazol-2-one?
The InChIKey is VNOBKMZJKWBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-3-4-6-7-5(8)9-4/h2-3H2,1H3,(H,7,8).
What are the key properties of 5-propyl-3H-1,3,4-oxadiazol-2-one?
5-propyl-3H-1,3,4-oxadiazol-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 19876357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).